3-Bromo-2-methoxypyridine - CAS 13472-59-8

Name: 3-Bromo-2-methoxypyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007998
Product Name:	3-Bromo-2-methoxypyridine
CAS:	13472-59-8
Synonyms:	3-bromo-2-methoxypyridine

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Computed Properties

IUPAC Name:	3-bromo-2-methoxypyridine
Description:	3-Bromo-2-methoxypyridine (CAS# 13472-59-8) is a useful research chemical.
Molecular Weight:	188.02
Molecular Formula:	C6H6BrNO
Canonical SMILES:	COC1=C(C=CC=N1)Br
InChI:	InChI=1S/C6H6BrNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChI Key:	PORGLLGXCAQORO-UHFFFAOYSA-N
Boiling Point:	190.4 °C at 760 mmHg
Purity:	98 %
Density:	1.5856 g/cm³
Appearance:	Colorless to brown liquid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD03095349
LogP:	1.85270

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GHS Hazard Statement:	H302 (88.64%): 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, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021026803-A1	Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents	20190814
WO-2021028854-A1	Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents	20190814
WO-2020191151-A1	Sumo inhibitor compounds and uses thereof	20190319
US-2020231584-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
US-2020291041-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118

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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8