Name: Name:5-chloro-6-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxylic acid
Brand: Angene
SKU: AG00IFBD
Rating: 90 (10 reviews)

5-chloro-6-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxylic acid

CAS No.:

886761-94-0

Catalog Number:

AG00IFBD

Molecular Formula:

C14H9ClF3NO3

Molecular Weight:

331.6744

Catalog Number:

AG00IFBD

Chemical Name:

5-chloro-6-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxylic acid

CAS Number:

886761-94-0

Molecular Formula:

C14H9ClF3NO3

Molecular Weight:

331.6744

MDL Number:

MFCD04038241

IUPAC Name:

5-chloro-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid

InChI:

InChI=1S/C14H9ClF3NO3/c15-11-5-9(13(21)22)7-19(12(11)20)6-8-1-3-10(4-2-8)14(16,17)18/h1-5,7H,6H2,(H,21,22)

InChI Key:

HTOSRORQIXOYNC-UHFFFAOYSA-N

SMILES:

OC(=O)c1cn(Cc2ccc(cc2)C(F)(F)F)c(=O)c(c1)Cl

Complexity:

534

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.675g/mol

Monoisotopic Mass:

331.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8