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3-Bromo-1-methyl-5-(trifluoromethyl)pyridin-2(1H)-one

3-Bromo-1-methyl-5-(trifluoromethyl)pyridin-2(1H)-one - CAS 1215205-35-8

Catalog:	BB005195
Product Name:	3-Bromo-1-methyl-5-(trifluoromethyl)pyridin-2(1H)-one
CAS:	1215205-35-8
Synonyms:	3-bromo-1-methyl-5-(trifluoromethyl)-2-pyridinone; 3-bromo-1-methyl-5-(trifluoromethyl)pyridin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-1-methyl-5-(trifluoromethyl)pyridin-2-one
Description:	3-Bromo-1-methyl-5-(trifluoromethyl)pyridin-2(1H)-one (CAS# 1215205-35-8) is a useful research chemical.
Molecular Weight:	256.02
Molecular Formula:	C7H5BrF3NO
Canonical SMILES:	CN1C=C(C=C(C1=O)Br)C(F)(F)F
InChI:	InChI=1S/C7H5BrF3NO/c1-12-3-4(7(9,10)11)2-5(8)6(12)13/h2-3H,1H3
InChI Key:	FTCGYBIUAXXLHH-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.16660

Publication Number	Title	Priority Date
US-2020155538-A1	Quinoline derivatives	20181030
US-2020163953-A1	Compounds for Inhibition of Alpha 4 Beta 7 Integrin	20181030
WO-2020092375-A1	Quinoline derivatives as alpha4beta7 integrin inhibitors	20181030
WO-2020092401-A1	COMPOUNDS FOR INHIBITION OF ALPHA 4Î²7 INTEGRIN	20181030
TW-202033492-A	Quinoline derivatives	20181030

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Complexity:	305
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.95066
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.95066
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7