4-Bromo-5-methylpyridine-2-carboxylic Acid - CAS 1196154-93-4

Catalog:	BB004550
Product Name:	4-Bromo-5-methylpyridine-2-carboxylic Acid
CAS:	1196154-93-4
Synonyms:	4-bromo-5-methyl-2-pyridinecarboxylic acid; 4-bromo-5-methylpyridine-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-5-methylpyridine-2-carboxylic acid
Description:	4-Bromo-5-methylpyridine-2-carboxylic Acid (CAS# 1196154-93-4 ) is a useful research chemical.
Molecular Weight:	216.03
Molecular Formula:	C7H6BrNO2
Canonical SMILES:	CC1=CN=C(C=C1Br)C(=O)O
InChI:	InChI=1S/C7H6BrNO2/c1-4-3-9-6(7(10)11)2-5(4)8/h2-3H,1H3,(H,10,11)
InChI Key:	QBHUWQKVSFENQT-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.85070

Publication Number	Title	Priority Date
WO-2021026672-A1	Heterocyclic wdr5 inhibitors as anti-cancer compounds	20190809
WO-2021028806-A1	Heterocyclic wdr5 inhibitors as anti-cancer compounds	20190809
WO-2020212351-A1	Substituted cyanopyrrolidines with activity as usp30 inhibitors	20190416
WO-2020198053-A1	2-oxo-2,3-dihydro-1h-imidazo[4,5-b]pyridin-6-yl)-4-methylbenzamide derivatives and similar compounds as ripk2 inhibitors for treating e.g. autoimmune diseases	20190322
TW-202102498-A	Pyridine-fused imidazole and pyrrole derivatives as ripk2 inhibitors	20190322

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.95819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.95819
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8