2-Bromo-4-hydroxymethylpyridine - CAS 118289-16-0

Name: 2-Bromo-4-hydroxymethylpyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004072
Product Name:	2-Bromo-4-hydroxymethylpyridine
CAS:	118289-16-0
Synonyms:	(2-bromopyridin-4-yl)methanol

Technical Data

IUPAC Name:	(2-bromopyridin-4-yl)methanol
Description:	2-Bromo-4-hydroxymethylpyridine (CAS# 118289-16-0) is used to synthesize aza- and diazabiphenyl analogs of the antitubercular drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824). It is also used to N3/8-disubstituted 3,8-diazabicyclo[3.2.1]octane analogues of 3,8-bis[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl-piperazine with antiproliferative properties.
Molecular Weight:	188.02
Molecular Formula:	C6H6BrNO
Canonical SMILES:	C1=CN=C(C=C1CO)Br
InChI:	InChI=1S/C6H6BrNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
InChI Key:	IQNUGAFIKDRYRP-UHFFFAOYSA-N
Boiling Point:	316.6 °C at 760 mmHg
Melting Point:	58-61 °C
Purity:	95 %
Density:	1.668 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD04039313
LogP:	1.33640

GHS Hazard Statement:	H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607
JP-2020128368-A	Medicine containing an azole-substituted pyridine compound as an active ingredient	20190208
TW-202002975-A	Matrix metalloproteinase (MMP) inhibitors and methods of use thereof	20180515
US-2019352288-A1	Matrix metalloproteinase (mmp) inhibitors and methods of use thereof	20180515

Complexity:	89.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.96328
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1