Name: Name:6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-3-carboxylic acid
Brand: Angene
SKU: AG01EKAM
Rating: 90 (10 reviews)

6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-3-carboxylic acid

CAS No.:

1247612-70-9

Catalog Number:

AG01EKAM

Molecular Formula:

C8H6F3NO3

Molecular Weight:

221.1333

Catalog Number:

AG01EKAM

Chemical Name:

6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-3-carboxylic acid

CAS Number:

1247612-70-9

Molecular Formula:

C8H6F3NO3

Molecular Weight:

221.1333

MDL Number:

MFCD16093589

IUPAC Name:

6-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid

InChI:

InChI=1S/C8H6F3NO3/c9-8(10,11)4-12-3-5(7(14)15)1-2-6(12)13/h1-3H,4H2,(H,14,15)

InChI Key:

ZZUYTXHBEZZMHR-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(=O)n(c1)CC(F)(F)F

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.135g/mol

Monoisotopic Mass:

221.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7