Name: Name:2-OXO-1-(2,2,2-TRIFLUOROETHYL)-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACID
Brand: Angene
SKU: AG01DV2C
Rating: 90 (10 reviews)

2-OXO-1-(2,2,2-TRIFLUOROETHYL)-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACID

CAS No.:

1203544-08-4

Catalog Number:

AG01DV2C

Molecular Formula:

C8H6F3NO3

Molecular Weight:

221.1333

Catalog Number:

AG01DV2C

Chemical Name:

2-OXO-1-(2,2,2-TRIFLUOROETHYL)-1,2-DIHYDROPYRIDINE-4-CARBOXYLIC ACID

CAS Number:

1203544-08-4

Molecular Formula:

C8H6F3NO3

Molecular Weight:

221.1333

MDL Number:

MFCD24326445

IUPAC Name:

2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxylic acid

InChI:

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

InChI Key:

BSWZBVHNXSQHSU-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccn(c(=O)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