1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C14H9F3N2O — CID 3607846

IUPAC1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCn1c(-c2ccccc2)cc(C(F)(F)F)c(C#N)c1=O
InChIInChI=1S/C14H9F3N2O/c1-19-12(9-5-3-2-4-6-9)7-11(14(15,16)17)10(8-18)13(19)20/h2-7H,1H3
InChIKeyRJDLLJINMGMHEZ-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.94
Rot. Bonds1

About 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 3607846) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID3607846
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCn1c(-c2ccccc2)cc(C(F)(F)F)c(C#N)c1=O
InChIInChI=1S/C14H9F3N2O/c1-19-12(9-5-3-2-4-6-9)7-11(14(15,16)17)10(8-18)13(19)20/h2-7H,1H3
InChIKeyRJDLLJINMGMHEZ-UHFFFAOYSA-N
XLogP2.94
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 3607846) is 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cn1c(-c2ccccc2)cc(C(F)(F)F)c(C#N)c1=O.
What is the InChIKey of 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RJDLLJINMGMHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c1-19-12(9-5-3-2-4-6-9)7-11(14(15,16)17)10(8-18)13(19)20/h2-7H,1H3.
What are the key properties of 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 278.23 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3607846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).