Name: Name:3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-, ethyl ester
Brand: Angene
SKU: AG000CRJ
Rating: 90 (10 reviews)

3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-, ethyl ester

CAS No.:

116548-02-8

Catalog Number:

AG000CRJ

Molecular Formula:

C9H8F3NO3

Molecular Weight:

235.1599

Catalog Number:

AG000CRJ

Chemical Name:

3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-6-(trifluoromethyl)-, ethyl ester

CAS Number:

116548-02-8

Molecular Formula:

C9H8F3NO3

Molecular Weight:

235.1599

MDL Number:

MFCD11975806

IUPAC Name:

ethyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate

InChI:

InChI=1S/C9H8F3NO3/c1-2-16-8(15)5-3-4-6(9(10,11)12)13-7(5)14/h3-4H,2H2,1H3,(H,13,14)

InChI Key:

MKNWSULTPQRNKN-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccc([nH]c1=O)C(F)(F)F

Complexity:

382

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.162g/mol

Monoisotopic Mass:

235.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5