630-580-1088 sales@ambeed.com
Structure Search

List Search MOL Search Structure Search

0
Chemistry
Boronic acids/esters >>1,3,2-DioxaborinaneAliphatic BoronsAromatic BoronsBCATBoric AcidsMIDA BoronatesOther BoronatesOther BoronsOxaborolesCatalysis Chemistry >>Achiral Crown LigandsC-H ActivationCarbon-Donor LigandsChiral Carbon LigandsChiral Crown LigandsChiral Olefin LigandsCross-CouplingCross-Coupling Using Transition Metal CatalystsDACH or Trost LigandsChemical Biology >>Conjugation Chemistry
GlycoscienceLinkers and CrosslinkersNucleic Acid ChemistryPEGylationPeptide ChemistryPhotolabile Protecting GroupHeterocyclic Building Blocks >>AcridinesAliphatic HeterocyclesAromatic HeterocyclesAzetidinesBenzimidazolesBenzisoxazolesBenzodioxansBenzofuransBenzothiazolesInorganic reagents >>Inorganic ReagentOrganic Building Blocks >>Acid AnhydridesAcyl ChloridesAlcohols
AldehydesAliphatic Chain HydrocarbonsAliphatic Cyclic HydrocarbonsAlkenesAlkylsAlkynesOrganometallic Reagents >>Grignard ReagentsOrganoarsenicOrganobismuthOrganoboronOrganogermaniumOrganolithiumOrganomercuryOrganosiliconOrganotinSpecialty Synthesis >>Enzyme-Mediated SynthesisFluorous SynthesisIonic LiquidsSolid Supported SynthesisStains and Dyes >>
Acid DyesAzoic DyesBasic DyesDirect DyesDisperse DyesDye IntermediatesMordant DyesOil DyesOther Stains and DyesSynthetic Reagents >>Acids and BasesC-C Bond FormationC-X Bond Formation (Halogen)C-X Bond Formation (Non-Halogen)Chelation and Complexation CompoundsCondensation AgentsCouplingDehydrating ReagentsFluorination Reagent
Pharmaceutical Intermediates
Analgesics >>BenzhydrocodoneBicifadineCapsaicinCelecoxibDebio-0827DexamethasoneElagolix SodiumEsketamine HydrochlorideIbuprofen SodiumAnesthetics >>CiprofolEsketamine HydrochlorideFospropofol Fospropofol DisodiumLevobupivacaine RemimazolamRemimazolam BesilateRemimazolam BesylateRopivacaineAnti-Addiction Agents >>Kakonein
Lofexidine HydrochlorideVarenicline Anti-inflammatory Agents >>ApremilastAsunaprevirATB-346 RelatedBalsalazide BaricitinibBencycloquidium BromideBudesonideCefiderocol Sulfate TosylateCeftaroline Fosamil AcetateAntibacterials >>AFN-1252 RelatedAlatrofloxacin Bedaquiline FumarateBesifloxacin BrilacidinCaspofungin AcetateCefiderocol Sulfate TosylateCefilavancinCeftaroline Fosamil
Anticonvulsants >>BrivaracetamCannabidiolEscitalopram OxalateEslicarbazepine Acetate RelatedFosphenytoinGabapentin EnacarbilJNJ-10234094LacosamideLevetiracetam RelatedAntidementia Agents >>Azeliragon RelatedDavunetideDonepezil HydrochlorideDonepezil RelatedEnsaculinFlorbetaben Flortaucipir F 18Flutemetamol IdalopirdineAntidepressants >>4-Chlorokynurenine
AgomelatineAgomelatine RelatedAllopregnanolone RelatedAmibegronAmitifadineAripiprazole RelatedBasimglurantBefloxatoneAntiemetics >>AprepitantAprepitant RelatedDolasetron RelatedDolasetron Mesylate HydrateFosaprepitant DimeglumineFosaprepitant RelatedOlanzapinePalonosetron RelatedPalonosetron HydrochlorideAntifungals >>Anidulafungin RelatedCabotegravirMore >>
Inhibitors/Agonists
ADC >>ADC AntibodyADC LinkerADC Linker with PayloadADC ToxinAntibody-Drug Conjugates (ADCs)Drug-Linker Conjugates for ADCAngiogenesis >>ALKBcr-AblBTKEGFRFAKFGFRFLT3HER2HIFAnti-infection >>3CLproAntibacterialAntibioticAntifungal
AntiparasiticAntiprotozoalAntiviralArenavirusBVDVApoptosis >>Apoptosis InducerBcl-2Bcl-6BRKc-Mycc-RETC/EBPCARDCaspaseAutophagy >>Atg4ATG4BATTECsAUTACsAutophagyBeclin1
FKBPLC3LRRK2Biochemical Reagent >>Cell Cycle >>AntifolateAPCAurora KinaseBUBCasein KinaseCdc25CDKChkCRISPR/Cas9Cytoskeleton >>ActinArp2/3 ComplexCYTHCytoplasmic DyneinDynaminFAKMore >>
Material Science
Aggregation-Induced Emission >>Other AIE BlocksTetraphenylethylene SeriesCOFs Linkers >>Aldehyde COFs LinkersAlkynyl COFs LinkersAmine COFs LinkersBoric COFs LinkersCyano COFs LinkersMultifunctional COFs linkersOther COFs linkersTriptycene SeriesElectronic Materials >>Battery MaterialsDye-Sensitized Solar Cell (DSSC) MaterialsElectronic MaterialLiquid Crystal (LC) MaterialsMolecular ConductorsOrganic Light-Emitting Diode (OLED) MaterialsOrganic Solar Cell (OPV) MaterialsOrganic Transistor (OFET) MaterialsPerovskite Solar Cell (PSC) MaterialsMagnetic Materials >>Magnetic Ionic LiquidsMagnetic MaterialMagnetic Metal Complexes
Organic Radicals Material Chemical Compounds >>Ligands for Functional Metal ComplexesLiquid Crystal (LC) Building BlocksPhthalocyanine Building BlocksPolymer and Macromolecule Semiconductor Building BlocksSmall Molecule Semiconductor Building BlocksSolubility Enhancing Reagents Supramolecular Host Materials MOF Ligands >>Carboxylic Acid MOF LigandsCarboxylic Acid Nitrogen-Containing Mixed MOF LigandsNitrogen-Containing MOF LigandsOther MOF LigandsNanomaterials >>Carbon NanomaterialsCeramic MembranesDendrimersGold NanoparticlesIron Oxide NanoparticlesMaterials by ApplicationMesoporous MaterialsMetals and Metal AlloysNano Minerals: NanoclaysOLED Materials >>Dopant
HostHTMOLED IntermediatesOther OLED related materialsOptical Materials >>Coumarin DyesCyanine and Squarylium DyesDCM DyesDipyrromethene DyesFluorescence MaterialsFluorescent ProbesHeat and Pressure Sensitive DyesNear-Infrared (NIR) DyesOrganic Non-Linear Optical (NLO) MaterialsOrganic Pigments >>Organic PigmentOther Materials >>Material OtherPolymer Science >>MonomersPolymer AdditivesPolymerization ReagentsPolymersResins
Contact Us
Home Cart 0 Sign in  
X
Chemistry
Organic Building Blocks
Pyridines
nitropyridine
2-Bromo-4-methyl-3-nitropyridine
Chemistry
Organic Building Blocks
Heterocyclic Building Blocks
Pyridines
Bromides Nitroes
nitropyridine
2-bromo-3-nitropyridine

[ CAS No. 23056-45-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 23056-45-3
Chemical Structure| 23056-45-3
Chemical Structure| 23056-45-3
Structure of 23056-45-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 23056-45-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 23056-45-3 ]

SDS Specification
Alternatived Products of [ 23056-45-3 ]
Product Citations

Product Details of [ 23056-45-3 ]

CAS No. :23056-45-3 MDL No. :MFCD04112527
Formula : C6H5BrN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :LRYKMSPHPLXBHF-UHFFFAOYSA-N
M.W : 217.02 Pubchem ID :19926089
Synonyms :

Calculated chemistry of [ 23056-45-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.72
TPSA : 58.71 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.15 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.59
Log Po/w (XLOGP3) : 2.07
Log Po/w (WLOGP) : 2.06
Log Po/w (MLOGP) : 1.2
Log Po/w (SILICOS-IT) : 0.34
Consensus Log Po/w : 1.45

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.83
Solubility : 0.323 mg/ml ; 0.00149 mol/l
Class : Soluble
Log S (Ali) : -2.93
Solubility : 0.254 mg/ml ; 0.00117 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.65
Solubility : 0.484 mg/ml ; 0.00223 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.12

Safety of [ 23056-45-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Tags: 23056-45-3 synthesis path| 23056-45-3 SDS| 23056-45-3 COA| 23056-45-3 purity| 23056-45-3 application| 23056-45-3 NMR| 23056-45-3 COA| 23056-45-3 structure

Recommend Products
Same Skeleton Products
Related Products
Isomers
Categories
Chemistry
Heterocyclic Building Blocks
Pyridines
2-bromo-3-nitropyridine
Chemistry
Heterocyclic Building Blocks
Pyridines
nitropyridine
Chemistry
Organic Building Blocks
Bromides
2-bromo-3-nitropyridine
Chemistry
Organic Building Blocks
Nitroes
nitropyridine

Technical Information

• Acid-Catalyzed α -Halogenation of Ketones • Addition of a Hydrogen Halide to an Internal Alkyne • Alcohols from Haloalkanes by Acetate Substitution-Hydrolysis • Alcohols React with PX3 • Alkyl Halide Occurrence • Alkylation of an Alkynyl Anion • An Alkane are Prepared from an Haloalkane • Chichibabin Reaction • Convert Haloalkanes into Alcohols by SN2 • Friedel-Crafts Alkylation of Benzene with Haloalkanes • General Reactivity • Grignard Reaction • Halogenation of Alkenes • Hantzsch Pyridine Synthesis • Hiyama Cross-Coupling Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Methylation of Ammonia • Methylation of Ammonia • Preparation of Amines • Pyridines React with Grignard or Organolithium Reagents • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Dihalides • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Williamson Ether Syntheses
Historical Records

Related Functional Groups of
[ 23056-45-3 ]

Bromides

Chemical Structure| 23056-46-4

[ 23056-46-4 ]

2-Bromo-5-methyl-3-nitropyridine

Similarity: 0.98

Chemical Structure| 84487-14-9

[ 84487-14-9 ]

2-Bromo-3-nitropyridine-4-amine

Similarity: 0.82

Chemical Structure| 15862-37-0

[ 15862-37-0 ]

2,5-Dibromo-3-nitropyridine

Similarity: 0.82

Chemical Structure| 1214336-90-9

[ 1214336-90-9 ]

2-Bromo-3-nitro-5-(trifluoromethyl)pyridine

Similarity: 0.81

Chemical Structure| 917918-84-4

[ 917918-84-4 ]

2-Bromo-5-fluoro-4-methyl-3-nitropyridine

Similarity: 0.80

Nitroes

Chemical Structure| 23056-46-4

[ 23056-46-4 ]

2-Bromo-5-methyl-3-nitropyridine

Similarity: 0.98

Chemical Structure| 84487-14-9

[ 84487-14-9 ]

2-Bromo-3-nitropyridine-4-amine

Similarity: 0.82

Chemical Structure| 15862-37-0

[ 15862-37-0 ]

2,5-Dibromo-3-nitropyridine

Similarity: 0.82

Chemical Structure| 1214336-90-9

[ 1214336-90-9 ]

2-Bromo-3-nitro-5-(trifluoromethyl)pyridine

Similarity: 0.81

Chemical Structure| 917918-84-4

[ 917918-84-4 ]

2-Bromo-5-fluoro-4-methyl-3-nitropyridine

Similarity: 0.80

Related Parent Nucleus of
[ 23056-45-3 ]

Pyridines

Chemical Structure| 23056-46-4

[ 23056-46-4 ]

2-Bromo-5-methyl-3-nitropyridine

Similarity: 0.98

Chemical Structure| 84487-14-9

[ 84487-14-9 ]

2-Bromo-3-nitropyridine-4-amine

Similarity: 0.82

Chemical Structure| 15862-37-0

[ 15862-37-0 ]

2,5-Dibromo-3-nitropyridine

Similarity: 0.82

Chemical Structure| 1214336-90-9

[ 1214336-90-9 ]

2-Bromo-3-nitro-5-(trifluoromethyl)pyridine

Similarity: 0.81

Chemical Structure| 917918-84-4

[ 917918-84-4 ]

2-Bromo-5-fluoro-4-methyl-3-nitropyridine

Similarity: 0.80

; ;