4-Bromo-2-methoxypyridine - CAS 100367-39-3

Catalog:	BB000195
Product Name:	4-Bromo-2-methoxypyridine
CAS:	100367-39-3
Synonyms:	4-bromo-2-methoxypyridine; 4-bromo-2-methoxypyridine

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2-methoxypyridine
Description:	4-Bromo-2-methoxypyridine (CAS# 100367-39-3) is a useful research chemical.
Molecular Weight:	188.02
Molecular Formula:	C6H6BrNO
Canonical SMILES:	COC1=NC=CC(=C1)Br
InChI:	InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
InChI Key:	YFTGMMXMLPTTAY-UHFFFAOYSA-N
Boiling Point:	202.3 °C at 760 mmHg
Density:	1.53 g/cm³
Appearance:	Low melting solid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD08277268
LogP:	1.85270

Publication Number	Title	Priority Date
CN-112279810-A	6-oxo-5, 6-dihydrophenanthridine-4-formamide compound, preparation method, pharmaceutical composition and application	20201225
CN-112279810-B	6-oxo-5, 6-dihydrophenanthridine-4-formamide compound, preparation method, pharmaceutical composition and application	20201225
CN-113072551-A	Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof	20200103
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223
WO-2021105481-A1	Novel compounds for treatment of diseases related to dux4 expression	20191129

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GHS Hazard Statement:	H302 (25%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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:	2.1