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

C15H11F3N2O2 — CID 168586809

IUPAC4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1c(-c2cc(C)[nH]c(=O)c2C#N)cccc1C(F)(F)F
InChIInChI=1S/C15H11F3N2O2/c1-8-6-10(11(7-19)14(21)20-8)9-4-3-5-12(13(9)22-2)15(16,17)18/h3-6H,1-2H3,(H,20,21)
InChIKeySBTUPGUHPGQBRW-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.25
Rot. Bonds2

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

4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586809) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586809
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1c(-c2cc(C)[nH]c(=O)c2C#N)cccc1C(F)(F)F
InChIInChI=1S/C15H11F3N2O2/c1-8-6-10(11(7-19)14(21)20-8)9-4-3-5-12(13(9)22-2)15(16,17)18/h3-6H,1-2H3,(H,20,21)
InChIKeySBTUPGUHPGQBRW-UHFFFAOYSA-N
XLogP3.25
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586809) is 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is COc1c(-c2cc(C)[nH]c(=O)c2C#N)cccc1C(F)(F)F.
What is the InChIKey of 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SBTUPGUHPGQBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-8-6-10(11(7-19)14(21)20-8)9-4-3-5-12(13(9)22-2)15(16,17)18/h3-6H,1-2H3,(H,20,21).
What are the key properties of 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 308.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).