Name: Name:7-(trifluoromethyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
Brand: Angene
SKU: AG01EIFB
Rating: 90 (10 reviews)

7-(trifluoromethyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

CAS No.:

779352-04-4

Catalog Number:

AG01EIFB

Molecular Formula:

C8H4F3N3O2

Molecular Weight:

231.1315

Catalog Number:

AG01EIFB

Chemical Name:

7-(trifluoromethyl)-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

CAS Number:

779352-04-4

Molecular Formula:

C8H4F3N3O2

Molecular Weight:

231.1315

MDL Number:

MFCD22575137

IUPAC Name:

7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

InChI:

InChI=1S/C8H4F3N3O2/c9-8(10,11)4-2-1-3-5(12-4)13-7(16)14-6(3)15/h1-2H,(H2,12,13,14,15,16)

InChI Key:

CFHGKXKFXKJQSH-UHFFFAOYSA-N

SMILES:

O=c1[nH]c2nc(ccc2c(=O)[nH]1)C(F)(F)F

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.134g/mol

Monoisotopic Mass:

231.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6