5-Bromo-2-fluoro-4-methylpyridine - CAS 864830-16-0

Catalog:	BB037956
Product Name:	5-Bromo-2-fluoro-4-methylpyridine
CAS:	864830-16-0
Synonyms:	5-bromo-2-fluoro-4-methylpyridine; 5-bromo-2-fluoro-4-methylpyridine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-fluoro-4-methylpyridine
Description:	5-Bromo-2-fluoro-4-methylpyridine (CAS# 864830-16-0) is a useful research chemical.
Molecular Weight:	190.01
Molecular Formula:	C6H5BrFN
Canonical SMILES:	CC1=CC(=NC=C1Br)F
InChI:	InChI=1S/C6H5BrFN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
InChI Key:	PFODFMZCBQUYNG-UHFFFAOYSA-N
Boiling Point:	208.9 °C at 760 mmHg
Purity:	98 %
Density:	1.592 g/cm³
Appearance:	Colorless to light yellow clear liquid
MDL:	MFCD09839213
LogP:	2.29160

Publication Number	Title	Priority Date
WO-2021032992-A1	Pharmaceutical compounds	20190820
WO-2020207991-A1	Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20190409
WO-2020131627-A1	Substituted pyrazolo[1,5-a]pyridine compounds as inhibitors of fgfr tyrosine kinases	20181219
WO-2020131674-A1	7-((3,5-dimethoxyphenyl)amino)quinoxaline derivatives as fgfr inhibitors for treating cancer	20181219
CN-113474337-A	7- ((3, 5-dimethoxyphenyl) amino) quinoxaline derivatives as FGFR inhibitors for the treatment of cancer	20181219

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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:	188.95894
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.95894
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3