3-Bromo-2-chloro-4-methylpyridine - CAS 55404-31-4

Catalog:	BB029028
Product Name:	3-Bromo-2-chloro-4-methylpyridine
CAS:	55404-31-4
Synonyms:	3-bromo-2-chloro-4-methylpyridine; 3-bromo-2-chloro-4-methylpyridine

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-2-chloro-4-methylpyridine
Description:	3-Bromo-2-chloro-4-methylpyridine (CAS# 55404-31-4) is a useful research chemical.
Molecular Weight:	206.47
Molecular Formula:	C6H5BrClN
Canonical SMILES:	CC1=C(C(=NC=C1)Cl)Br
InChI:	InChI=1S/C6H5BrClN/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3
InChI Key:	QPFHYDFGKXHWIN-UHFFFAOYSA-N
Boiling Point:	250.3 °C at 760 mmHg
Density:	1.624 g/cm³
MDL:	MFCD04112511
LogP:	2.80590

Publication Number	Title	Priority Date
WO-2021084500-A1	Fluorinated quinoline and quinoxaline derivatives as dihydroorotate dehydrogenase (dhodh) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases	20191101
CN-111170986-A	Inhibitors of bruton's tyrosine kinase	20181113
WO-2020098716-A1	Inhibitor of bruton tyrosine kinase	20181113
EP-3882241-A1	Inhibitor of bruton's tyrosine kinase	20181113
KR-20210114385-A	Inhibitors of Bruton's Tyrosine Kinase	20181113

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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:	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