2-Bromo-5-fluoro-4-methylpyridine - CAS 885168-20-7

Catalog:	BB038905
Product Name:	2-Bromo-5-fluoro-4-methylpyridine
CAS:	885168-20-7
Synonyms:	2-bromo-5-fluoro-4-methylpyridine; 2-bromo-5-fluoro-4-methylpyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-5-fluoro-4-methylpyridine
Description:	2-Bromo-5-fluoro-4-methylpyridine (CAS# 885168-20-7) is a useful research chemical.
Molecular Weight:	190.01
Molecular Formula:	C6H5BrFN
Canonical SMILES:	CC1=CC(=NC=C1F)Br
InChI:	InChI=1S/C6H5BrFN/c1-4-2-6(7)9-3-5(4)8/h2-3H,1H3
InChI Key:	CYXOICAPNITIOW-UHFFFAOYSA-N
MDL:	MFCD08277310
LogP:	2.29160

Publication Number	Title	Priority Date
WO-2020125627-A1	Phenylpyrrolidine compound and use thereof	20181218
CN-111333626-A	Phenyl pyrrolidine compounds and uses thereof	20181218
EP-3901146-A1	Phenylpyrrolidine compound and use thereof	20181218
KR-20210093320-A	Phenylpyrrolidine-based compounds and uses thereof	20181218
WO-2020083856-A1	5-azaindazole derivatives as adenosine receptor antagonists	20181025

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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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3