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

C15H13ClN2O — CID 107072981

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2c(C)ccc(C#N)c2=O)c(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-10-3-5-13(14(16)7-10)9-18-11(2)4-6-12(8-17)15(18)19/h3-7H,9H2,1-2H3
InChIKeyWXNYIRXVCPZZIM-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.04
Rot. Bonds2

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

1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 107072981) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID107072981
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cn2c(C)ccc(C#N)c2=O)c(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-10-3-5-13(14(16)7-10)9-18-11(2)4-6-12(8-17)15(18)19/h3-7H,9H2,1-2H3
InChIKeyWXNYIRXVCPZZIM-UHFFFAOYSA-N
XLogP3.04
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072773
1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099441
1-[(2-chloro-3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072805
1-[(3-cyano-4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107887296
1-[(2,6-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072777
1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072766
ethyl 4-[(3-cyano-6-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 82099457
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857
6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
CID 130561478
1-(2-amino-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 82146932
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 106439931
4-bromo-2-[(2-chloro-4-methylphenyl)methylamino]benzonitrile
CID 107797851

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 107072981) is 1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(Cn2c(C)ccc(C#N)c2=O)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is WXNYIRXVCPZZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-3-5-13(14(16)7-10)9-18-11(2)4-6-12(8-17)15(18)19/h3-7H,9H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 107072981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).