5-Bromo-2-chloro-4-methylpyridine - CAS 778611-64-6

Catalog:	BB036058
Product Name:	5-Bromo-2-chloro-4-methylpyridine
CAS:	778611-64-6
Synonyms:	5-bromo-2-chloro-4-methylpyridine; 5-bromo-2-chloro-4-methylpyridine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-chloro-4-methylpyridine
Description:	5-Bromo-2-chloro-4-methylpyridine (CAS# 778611-64-6) is a useful research chemical.
Molecular Weight:	206.47
Molecular Formula:	C6H5BrClN
Canonical SMILES:	CC1=CC(=NC=C1Br)Cl
InChI:	InChI=1S/C6H5BrClN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
InChI Key:	ISESOOISZHSENQ-UHFFFAOYSA-N
Boiling Point:	239.4 °C at 760 mmHg
Density:	1.624 g/cm³
Appearance:	White crystals
MDL:	MFCD03427663
LogP:	2.80590

Publication Number	Title	Priority Date
WO-2021188938-A1	Phd inhibitor compounds, compositions, and use	20200320
WO-2021123291-A1	Oga inhibitor compounds	20191218
WO-2021094312-A1	Pyrrolidine and bicycloheteroaryl containing oga inhibitor compounds	20191111
WO-2021087181-A1	Substituted pyrazole compounds as toll receptor inhibitors	20191101
WO-2021086966-A1	Spirocyclic o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20191029

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

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