3-Bromo-4-pyridinemethanol - CAS 146679-66-5

Name: 3-Bromo-4-pyridinemethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010115
Product Name:	3-Bromo-4-pyridinemethanol
CAS:	146679-66-5
Synonyms:	(3-bromo-4-pyridinyl)methanol; (3-bromopyridin-4-yl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-bromopyridin-4-yl)methanol
Description:	3-Bromo-4-pyridinemethanol (CAS# 146679-66-5) is a useful research chemical.
Molecular Weight:	188.02
Molecular Formula:	C6H6BrNO
Canonical SMILES:	C1=CN=CC(=C1CO)Br
InChI:	InChI=1S/C6H6BrNO/c7-6-3-8-2-1-5(6)4-9/h1-3,9H,4H2
InChI Key:	LQBUZBOVEZBDEB-UHFFFAOYSA-N
Boiling Point:	287.079 °C at 760 mmHg
Density:	1.669 g/cm³
MDL:	MFCD11847285
LogP:	1.33640

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021086966-A1	Spirocyclic o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20191029
WO-2019215075-A1	1h-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors	20180507
AU-2019265606-A1	1H-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors	20180507
BR-112020021922-A2	1h-indazole-3-carboxamide compound, use of 1h-indazole-3-carboxamide compounds, method of treating a pathological condition arising from uncontrolled activation and / or overexpression of gsk-3b, and pharmaceutical composition	20180507
CN-112135821-A	1H-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors	20180507

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7