2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile

C15H11F3N2O — CID 129080140

IUPAC2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Cc2cccc(C(F)(F)F)c2)cc1C#N
InChIInChI=1S/C15H11F3N2O/c1-9-12(8-19)7-11(14(21)20-9)5-10-3-2-4-13(6-10)15(16,17)18/h2-4,6-7H,5H2,1H3,(H,20,21)
InChIKeyMWBZINFQCCUITH-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.16
Rot. Bonds2

About 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile

2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile (PubChem CID 129080140) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile
PubChem CID129080140
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Cc2cccc(C(F)(F)F)c2)cc1C#N
InChIInChI=1S/C15H11F3N2O/c1-9-12(8-19)7-11(14(21)20-9)5-10-3-2-4-13(6-10)15(16,17)18/h2-4,6-7H,5H2,1H3,(H,20,21)
InChIKeyMWBZINFQCCUITH-UHFFFAOYSA-N
XLogP3.16
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile (CID 129080140) is 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(Cc2cccc(C(F)(F)F)c2)cc1C#N.
What is the InChIKey of 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile?
The InChIKey is MWBZINFQCCUITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-9-12(8-19)7-11(14(21)20-9)5-10-3-2-4-13(6-10)15(16,17)18/h2-4,6-7H,5H2,1H3,(H,20,21).
What are the key properties of 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile?
2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 129080140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).