Name: Name:2-OXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
Brand: Angene
SKU: AG00G2TB
Rating: 90 (10 reviews)

2-OXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

CAS No.:

76053-36-6

Catalog Number:

AG00G2TB

Molecular Formula:

C13H7F3N2O

Molecular Weight:

264.2027

Catalog Number:

AG00G2TB

Chemical Name:

2-OXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

CAS Number:

76053-36-6

Molecular Formula:

C13H7F3N2O

Molecular Weight:

264.2027

MDL Number:

MFCD00232370

IUPAC Name:

2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile

InChI:

InChI=1S/C13H7F3N2O/c14-13(15,16)11-3-1-2-8(5-11)10-4-9(6-17)12(19)18-7-10/h1-5,7H,(H,18,19)

InChI Key:

AOABLFTVNRQPOX-UHFFFAOYSA-N

SMILES:

N#Cc1cc(c[nH]c1=O)c1cccc(c1)C(F)(F)F

Complexity:

496

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.207g/mol

Monoisotopic Mass:

264.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2