4-Bromo-2-fluoro-6-methylpyridine - CAS 1227565-50-5

Catalog:	BB005485
Product Name:	4-Bromo-2-fluoro-6-methylpyridine
CAS:	1227565-50-5
Synonyms:	4-bromo-2-fluoro-6-methylpyridine; 4-bromo-2-fluoro-6-methylpyridine

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2-fluoro-6-methylpyridine
Description:	4-Bromo-2-fluoro-6-methylpyridine (CAS# 1227565-50-5 ) is a useful research chemical.
Molecular Weight:	190.01
Molecular Formula:	C6H5BrFN
Canonical SMILES:	CC1=NC(=CC(=C1)Br)F
InChI:	InChI=1S/C6H5BrFN/c1-4-2-5(7)3-6(8)9-4/h2-3H,1H3
InChI Key:	CUVNQRYXKKVGDQ-UHFFFAOYSA-N
LogP:	2.29160

Publication Number	Title	Priority Date
WO-2020207991-A1	Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20190409
TW-202104230-A	Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20190409
AU-2015317327-A1	Pyridinyl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20140919
AU-2015317327-B2	Pyridinyl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20140919
AU-2015317327-B9	Pyridinyl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors	20140919

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GHS Hazard Statement:	H302 (100%): 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:	2.4