6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile

C15H11F3N2O2 — CID 168586808

IUPAC6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(OC(F)(F)F)cc(-c2cc(C)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C15H11F3N2O2/c1-8-3-10(6-11(4-8)22-15(16,17)18)12-5-9(2)20-14(21)13(12)7-19/h3-6H,1-2H3,(H,20,21)
InChIKeyYBCKZJLGDFXKRX-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.43
Rot. Bonds2

About 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586808) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586808
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(OC(F)(F)F)cc(-c2cc(C)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C15H11F3N2O2/c1-8-3-10(6-11(4-8)22-15(16,17)18)12-5-9(2)20-14(21)13(12)7-19/h3-6H,1-2H3,(H,20,21)
InChIKeyYBCKZJLGDFXKRX-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-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

Related Compounds

methyl 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-5-methylbenzoate
CID 168585814
methyl 3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-5-methoxybenzoate
CID 168586451
4-[3,4-dichloro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586080
4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585362
4-(4-chloro-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585123
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586026
4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586733
6-methyl-2-oxo-4-[2-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyridine-3-carbonitrile
CID 168585170
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587395
6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 168584507

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 168586808) is 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(OC(F)(F)F)cc(-c2cc(C)[nH]c(=O)c2C#N)c1.
What is the InChIKey of 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YBCKZJLGDFXKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-8-3-10(6-11(4-8)22-15(16,17)18)12-5-9(2)20-14(21)13(12)7-19/h3-6H,1-2H3,(H,20,21).
What are the key properties of 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 308.26 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-methyl-5-(trifluoromethoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).