2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile

C13H7F3N2O — CID 1488766

IUPAC2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(C(F)(F)F)c2)cc[nH]c1=O
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)9-3-1-2-8(6-9)10-4-5-18-12(19)11(10)7-17/h1-6H,(H,18,19)
InChIKeyKKXQQWLUTICLFC-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.93
Rot. Bonds1

About 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile

2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile (PubChem CID 1488766) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
PubChem CID1488766
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(C(F)(F)F)c2)cc[nH]c1=O
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)9-3-1-2-8(6-9)10-4-5-18-12(19)11(10)7-17/h1-6H,(H,18,19)
InChIKeyKKXQQWLUTICLFC-UHFFFAOYSA-N
XLogP2.93
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 19656842
6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 19656861
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091903
4-methyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile
CID 53254110
4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 71683757
2-[2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-4-yl]acetonitrile
CID 133092012
2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one
CID 162503154
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82077939
2-oxo-4-(2,3,4-trifluorophenyl)-1H-pyridine-3-carbonitrile
CID 82087328
6-oxo-4-phenyl-2-[2-[[2-[3-(trifluoromethyl)phenyl]phenyl]methylidene]hydrazinyl]-1H-pyrimidine-5-carbonitrile
CID 168570931

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile (CID 1488766) is 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccc(C(F)(F)F)c2)cc[nH]c1=O.
What is the InChIKey of 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is KKXQQWLUTICLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-13(15,16)9-3-1-2-8(6-9)10-4-5-18-12(19)11(10)7-17/h1-6H,(H,18,19).
What are the key properties of 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1488766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).