2-Bromo-5-chloro-3-methylpyridine - CAS 65550-77-8

Catalog:	BB032769
Product Name:	2-Bromo-5-chloro-3-methylpyridine
CAS:	65550-77-8
Synonyms:	2-bromo-5-chloro-3-methylpyridine; 2-bromo-5-chloro-3-methylpyridine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-chloro-3-methylpyridine
Description:	2-Bromo-5-chloro-3-methylpyridine (CAS# 65550-77-8) is a useful research chemical.
Molecular Weight:	206.47
Molecular Formula:	C6H5BrClN
Canonical SMILES:	CC1=CC(=CN=C1Br)Cl
InChI:	InChI=1S/C6H5BrClN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
InChI Key:	XEHWMXAUPXFOHZ-UHFFFAOYSA-N
Boiling Point:	240.3 °C at 760 mmHg
Density:	1.624 g/cm³
Appearance:	White to light beige powder
MDL:	MFCD03095062
LogP:	2.80590

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
WO-2020190754-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
US-10973805-B2	Macrocyclic azolopyridine derivatives as EED and PRC2 modulators	20190315

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.92939
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.92939
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9