2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile

C14H6F6N2O — CID 53256598

IUPAC2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C14H6F6N2O/c15-13(16,17)8-3-1-7(2-4-8)11-5-10(14(18,19)20)9(6-21)12(23)22-11/h1-5H,(H,22,23)
InChIKeyABDMCGMIKUFXKS-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.95
Rot. Bonds1

About 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile

2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile (PubChem CID 53256598) has the molecular formula C14H6F6N2O and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
PubChem CID53256598
Molecular FormulaC14H6F6N2O
Molecular Weight332.20 g/mol
Exact Mass332.04
IUPAC Name2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C14H6F6N2O/c15-13(16,17)8-3-1-7(2-4-8)11-5-10(14(18,19)20)9(6-21)12(23)22-11/h1-5H,(H,22,23)
InChIKeyABDMCGMIKUFXKS-UHFFFAOYSA-N
XLogP3.95
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile (CID 53256598) is 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
The InChIKey is ABDMCGMIKUFXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6N2O/c15-13(16,17)8-3-1-7(2-4-8)11-5-10(14(18,19)20)9(6-21)12(23)22-11/h1-5H,(H,22,23).
What are the key properties of 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile?
2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile has a molecular weight of 332.20 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 53256598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).