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Chemistry
Heterocyclic Building Blocks
Indazoles
chloro-methyl-indazole
Methyl 4-chloro-1H-indazole-6-carboxylate
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Indazoles
Chlorides Esters
chloro-methyl-indazole
chloro-indazole-carboxylate 4-chloro-1H-indazole

[ CAS No. 885519-19-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 885519-19-7
Chemical Structure| 885519-19-7
Chemical Structure| 885519-19-7
Structure of 885519-19-7 * Storage: {[proInfo.prStorage]}

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

Quality Control of [ 885519-19-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 885519-19-7 ]

SDS Specification
Alternatived Products of [ 885519-19-7 ]
Product Citations

Product Details of [ 885519-19-7 ]

CAS No. :885519-19-7 MDL No. :MFCD07781359
Formula : C9H7ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :BRRIKQXUDWIOIL-UHFFFAOYSA-N
M.W : 210.62 Pubchem ID :24728109
Synonyms :

Calculated chemistry of [ 885519-19-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.11
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 52.38
TPSA : 54.98 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) : -6.14 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.39
Log Po/w (XLOGP3) : 2.03
Log Po/w (WLOGP) : 2.0
Log Po/w (MLOGP) : 1.61
Log Po/w (SILICOS-IT) : 2.47
Consensus Log Po/w : 1.9

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.77
Solubility : 0.359 mg/ml ; 0.0017 mol/l
Class : Soluble
Log S (Ali) : -2.81
Solubility : 0.324 mg/ml ; 0.00154 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.61
Solubility : 0.0517 mg/ml ; 0.000245 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.76

Safety of [ 885519-19-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H320-H335 Packing Group:
GHS Pictogram:

Tags: 885519-19-7 synthesis path| 885519-19-7 SDS| 885519-19-7 COA| 885519-19-7 purity| 885519-19-7 application| 885519-19-7 NMR| 885519-19-7 COA| 885519-19-7 structure

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Isomers
Categories
Chemistry
Heterocyclic Building Blocks
Indazoles
4-chloro-1H-indazole
Chemistry
Heterocyclic Building Blocks
Indazoles
chloro-indazole-carboxylate
Chemistry
Heterocyclic Building Blocks
Indazoles
chloro-methyl-indazole
Chemistry
Organic Building Blocks
Chlorides
4-chloro-1H-indazole
Chemistry
Organic Building Blocks
Chlorides
chloro-indazole-carboxylate
Chemistry
Organic Building Blocks
Chlorides
chloro-methyl-indazole
Chemistry
Organic Building Blocks
Esters

Technical Information

• Acid-Catalyzed α -Halogenation of Ketones • Acyl Group Substitution • Addition of a Hydrogen Halide to an Internal Alkyne • Alcohols Convert Acyl Chlorides into Esters • Alcohols from Haloalkanes by Acetate Substitution-Hydrolysis • Alcoholysis of Anhydrides • Alkyl Halide Occurrence • Alkylation of an Alkynyl Anion • Amines Convert Esters into Amides • An Alkane are Prepared from an Haloalkane • Bouveault-Blanc Reduction • Catalytic Hydrogenation • Chloroalkane Synthesis with SOCI2 • Claisen Condensations Produce β-Dicarbonyl Compounds • Claisen Condensations Produce β-Dicarbonyl Compounds • Complex Metal Hydride Reductions • Convert Esters into Aldehydes Using a Milder Reducing Agent • Convert Haloalkanes into Alcohols by SN2 • Decarboxylation of 3-Ketoacids Yields Ketones • Deprotection of Cbz-Amino Acids • Ester Cleavage • Ester Hydrolysis • Friedel-Crafts Alkylation of Benzene with Haloalkanes • General Reactivity • Grignard Reaction • Grignard Reagents Transform Esters into Alcohols • Halogenation of Alkenes • Hantzsch Pyridine Synthesis • Hiyama Cross-Coupling Reaction • Ketones Undergo Mixed Claisen Reactions to Form β-Dicarbonyl Compounds • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Methylation of Ammonia • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions with Organometallic Reagents • Reduction of an Ester to an Alcohol • Reduction of an Ester to an Aldehyde • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • The Cycloaddition of Dienes to Alkenes Gives Cyclohexenes • Transesterification
Historical Records

Related Functional Groups of
[ 885519-19-7 ]

Chlorides

Chemical Structure| 885519-72-2

[ 885519-72-2 ]

Methyl 6-chloro-1H-indazole-4-carboxylate

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4-Chloro-1H-indazole-6-carboxylic acid

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Esters

Chemical Structure| 885519-72-2

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Methyl 5-chloro-1H-indazole-6-carboxylate

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Methyl 7-chloro-1H-indazole-5-carboxylate

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Chemical Structure| 1086391-18-5

[ 1086391-18-5 ]

Methyl 3-chloro-1H-indazole-6-carboxylate

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Methyl 5-chloro-1H-indazole-7-carboxylate

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Related Parent Nucleus of
[ 885519-19-7 ]

Indazoles

Chemical Structure| 885519-72-2

[ 885519-72-2 ]

Methyl 6-chloro-1H-indazole-4-carboxylate

Similarity: 0.97

Chemical Structure| 885523-25-1

[ 885523-25-1 ]

4-Chloro-1H-indazole-6-carboxylic acid

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Chemical Structure| 1227269-07-9

[ 1227269-07-9 ]

Methyl 5-chloro-1H-indazole-6-carboxylate

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Chemical Structure| 1260851-48-6

[ 1260851-48-6 ]

Methyl 7-chloro-1H-indazole-5-carboxylate

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[ 885522-12-3 ]

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