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Chemistry
Organic Building Blocks
Pyridines
dibromo
2,6-Dibromo-4-chloropyridine
Chemistry
Organic Building Blocks
Heterocyclic Building Blocks
Pyridines
Bromides Chlorides
dibromo
chloropyridine 2,6-dibromopyridine

[ CAS No. 1196156-59-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1196156-59-8
Chemical Structure| 1196156-59-8
Chemical Structure| 1196156-59-8
Structure of 1196156-59-8 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1196156-59-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1196156-59-8 ]

SDS Specification
Alternatived Products of [ 1196156-59-8 ]

Product Details of [ 1196156-59-8 ]

CAS No. :1196156-59-8 MDL No. :MFCD13189630
Formula : C5H2Br2ClN Boiling Point : -
Linear Structure Formula :- InChI Key :ZDPXTYKMHYSMQW-UHFFFAOYSA-N
M.W : 271.34 Pubchem ID :20280769
Synonyms :

Calculated chemistry of [ 1196156-59-8 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.65
TPSA : 12.89 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) : -5.45 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.29
Log Po/w (XLOGP3) : 3.53
Log Po/w (WLOGP) : 3.26
Log Po/w (MLOGP) : 2.6
Log Po/w (SILICOS-IT) : 3.42
Consensus Log Po/w : 3.02

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.24
Solubility : 0.0156 mg/ml ; 0.0000576 mol/l
Class : Moderately soluble
Log S (Ali) : -3.48
Solubility : 0.0888 mg/ml ; 0.000327 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.34
Solubility : 0.0123 mg/ml ; 0.0000452 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.88

Safety of [ 1196156-59-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1196156-59-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1196156-59-8 ]

[ 1196156-59-8 ] Synthesis Path-Downstream   1~1

  • 1
  • 2,6-dibromo-4-chloropyridine [ No CAS ]
  • [ 929203-04-3 ]
  • C27H18ClN3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium phosphate; palladium diacetate; In water; N,N-dimethyl-formamide; at 130℃; for 10.0h;Inert atmosphere; In a 250 ml three-necked flask, 2-bromo-4,6-dichloropyrimidine (0.012 mol), 4-pyridine-phenylborate (0.025 mol) and palladium acetate were sequentially added to 150 ml of DMF under nitrogen atmosphere. (0.0003mol),After stirring, a K3PO4 (0.045 mol) aqueous solution was added, and the mixture was refluxed at a temperature of 130 C for 10 h. After naturally cooling to room temperature, after completion of the reaction, 100 mL of deionized water was added, and a few drops of 2M HCl were added dropwise, extracted with dichloromethane, and the organic phase was collected and dried over anhydrous Na 2 SO 4 .deal with. The dried solution was filtered, and the solvent was removed on a rotary evaporator to give a crude material. The crude product was purified by silica gel column chromatography to afford intermediate M4
Reference： [1]Patent: CN109180567,2019,A .Location in patent: Paragraph 0064-0067

Tags: 1196156-59-8 synthesis path| 1196156-59-8 SDS| 1196156-59-8 COA| 1196156-59-8 purity| 1196156-59-8 application| 1196156-59-8 NMR| 1196156-59-8 COA| 1196156-59-8 structure

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Pyridines
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Chlorides
chloropyridine
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Organic Building Blocks
Bromides
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