1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C15H13FN2O — CID 82120457

IUPAC1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cn(Cc2ccccc2F)c(=O)c(C#N)c1C
InChIInChI=1S/C15H13FN2O/c1-10-8-18(15(19)13(7-17)11(10)2)9-12-5-3-4-6-14(12)16/h3-6,8H,9H2,1-2H3
InChIKeyWSKFXKRPYHCBRN-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.52
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile

1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 82120457) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID82120457
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cn(Cc2ccccc2F)c(=O)c(C#N)c1C
InChIInChI=1S/C15H13FN2O/c1-10-8-18(15(19)13(7-17)11(10)2)9-12-5-3-4-6-14(12)16/h3-6,8H,9H2,1-2H3
InChIKeyWSKFXKRPYHCBRN-UHFFFAOYSA-N
XLogP2.52
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-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

4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 82119679
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
1-[(2-fluorophenyl)methyl]-3-hydroxypyridin-2-one
CID 53235463
4-[2-(2-fluorophenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 82482516
1-(3,5-dimethylphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione
CID 22520404
4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 82111825
1-benzyl-5-(4-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 70482189
2-chloro-7-fluoro-1-[(2-methylphenyl)methyl]indole-3-carbonitrile
CID 82269302
2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
CID 63926468
1-[(2-fluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624763
1-[(2-fluorophenyl)methyl]-6,7-dimethylindole-2,3-dione
CID 61356077
1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 94282119

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 82120457) is 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cn(Cc2ccccc2F)c(=O)c(C#N)c1C.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is WSKFXKRPYHCBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10-8-18(15(19)13(7-17)11(10)2)9-12-5-3-4-6-14(12)16/h3-6,8H,9H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82120457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).