3-Bromo-4-methoxypyridine - CAS 82257-09-8

Catalog:	BB036780
Product Name:	3-Bromo-4-methoxypyridine
CAS:	82257-09-8
Synonyms:	3-bromo-4-methoxypyridine; 3-bromo-4-methoxypyridine

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Computed Properties

IUPAC Name:	3-bromo-4-methoxypyridine
Description:	3-Bromo-4-methoxypyridine (CAS# 82257-09-8) is a useful research chemical.
Molecular Weight:	188.02
Molecular Formula:	C6H6BrNO
Canonical SMILES:	COC1=C(C=NC=C1)Br
InChI:	InChI=1S/C6H6BrNO/c1-9-6-2-3-8-4-5(6)7/h2-4H,1H3
InChI Key:	DSFJKFHIMBVWAV-UHFFFAOYSA-N
Boiling Point:	214.5 °C at 760 mmHg
Density:	1.53 g/cm³
LogP:	1.85270

Publication Number	Title	Priority Date
CN-112079826-A	Steroid synthetase inhibitor and treatment application thereof	20200917
WO-2020251974-A1	Smarca inhibitors and uses thereof	20190610
US-2020231584-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
US-2020291041-A1	PCSK9 Inhibitors and Methods of Use Thereof	20190118
WO-2020150473-A2	Pcsk9 inhibitors and methods of use thereof	20190118

PMID	Publication Date	Title	Journal
15549801	20041126	Improved synthesis of aryltrialkoxysilanes via treatment of aryl Grignard or lithium reagents with tetraalkyl orthosilicates	The Journal of organic chemistry

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:	1.5