1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile

C15H13FN2O — CID 107072773

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(F)ccc1Cn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C15H13FN2O/c1-10-7-14(16)6-5-13(10)9-18-11(2)3-4-12(8-17)15(18)19/h3-7H,9H2,1-2H3
InChIKeyXMSDPFXIXHUKNK-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.52
Rot. Bonds2

About 1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile

1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 107072773) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID107072773
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(F)ccc1Cn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C15H13FN2O/c1-10-7-14(16)6-5-13(10)9-18-11(2)3-4-12(8-17)15(18)19/h3-7H,9H2,1-2H3
InChIKeyXMSDPFXIXHUKNK-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

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Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072981
1-[(3-cyano-4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107887296
1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072805
1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072777
1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099441
1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 58158462
1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072766
1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole
CID 19986378
6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
CID 130561478
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857
1-(2-amino-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 82146932
2-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-4-fluorobenzonitrile
CID 103792117

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 107072773) is 1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is Cc1cc(F)ccc1Cn1c(C)ccc(C#N)c1=O.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XMSDPFXIXHUKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10-7-14(16)6-5-13(10)9-18-11(2)3-4-12(8-17)15(18)19/h3-7H,9H2,1-2H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-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-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 107072773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).