3-Bromo-4-methylpyridine - CAS 3430-22-6

Catalog:	BB022058
Product Name:	3-Bromo-4-methylpyridine
CAS:	3430-22-6
Synonyms:	3-bromo-4-methylpyridine

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Computed Properties

IUPAC Name:	3-bromo-4-methylpyridine
Description:	An intermediate of pyridinyl pyrrole compounds as proton pump inhibitors with improved gastric acid secretion suppressive activity.
Molecular Weight:	172.02
Molecular Formula:	C6H6BrN
Canonical SMILES:	CC1=C(C=NC=C1)Br
InChI:	InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChI Key:	GSQZOLXWFQQJHJ-UHFFFAOYSA-N
Boiling Point:	199-200 °C
Purity:	98 %
Density:	1.549 g/cm³
MDL:	MFCD00082592
LogP:	2.15250

Publication Number	Title	Priority Date
CN-112537996-A	Method for green synthesis of 2, 5-dibromo-1, 4-diiodobenzene intermediate	20201225
CN-112645866-A	Synthesis and application of 1-benzyl-4-methyl-5-alkoxy-1, 2,3, 6-tetrahydropyridine derivative	20201222
CN-112079826-A	Steroid synthetase inhibitor and treatment application thereof	20200917
CN-112250615-A	Preparation method of tofacitinib intermediate cis-1-benzyl-N, 4-dimethylpiperidine-3-amine dihydrochloride	20200914
CN-212196910-U	2-amino-5-bromopyridine storage tank	20200424

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Related Functional Groups

Pyridines

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[643762-61-2]
3-Bromo-2-(bromomethyl)-6-fluoropyridine
[144584-32-7]
3-Bromo-2,4-dichloropyridine
[76006-14-9]
3-Chloro-1H-pyrazolo[3,4-c]pyridine
[1122-43-6]
3-Hydroxy-2,6-dimethylpyridine

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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:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.96836
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.96836
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9