4-Bromo-2-pyridinemethanol - CAS 131747-45-0

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

Catalog:	BB007483
Product Name:	4-Bromo-2-pyridinemethanol
CAS:	131747-45-0
Synonyms:	(4-bromo-2-pyridinyl)methanol; (4-bromopyridin-2-yl)methanol

Technical Data

IUPAC Name:	(4-bromopyridin-2-yl)methanol
Description:	4-Bromo-2-pyridinemethanol (CAS# 131747-45-0) is used as a reagent to synthesize bisphosphonate derivatives, compounds that inhibit farnesyl pyrophosphate synthase (an important enzyme in isoprenoid biosynthesis).
Molecular Weight:	188.02
Molecular Formula:	C6H6BrNO
Canonical SMILES:	C1=CN=C(C=C1Br)CO
InChI:	InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
InChI Key:	MHVUUSQGWMQSMH-UHFFFAOYSA-N
Boiling Point:	284.3 °C at 760 mmHg
Density:	1.668 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD09800557
LogP:	1.33640

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112812105-A	Aminopyridyloxypyrazole derivative and preparation method and application thereof	20200324
WO-2021195066-A2	Kcnt1 inhibitors and methods of use	20200323
WO-2021155316-A1	Compounds and uses thereof	20200129
WO-2021155320-A1	Compounds and uses thereof	20200129
WO-2021155321-A2	Compounds and uses thereof	20200129

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:	0.7