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

C14H11ClN2O — CID 82099441

IUPAC1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O/c1-10-2-5-12(8-16)14(18)17(10)9-11-3-6-13(15)7-4-11/h2-7H,9H2,1H3
InChIKeyOMQDHTMUTVVPNE-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.73
Rot. Bonds2

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

1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 82099441) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID82099441
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O/c1-10-2-5-12(8-16)14(18)17(10)9-11-3-6-13(15)7-4-11/h2-7H,9H2,1H3
InChIKeyOMQDHTMUTVVPNE-UHFFFAOYSA-N
XLogP2.73
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-cyano-4-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107887296
ethyl 4-[(3-cyano-6-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 82099457
1-[(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 3850946
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-[(2-chloro-4-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072981
1-[(2-cyano-4-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072766
1-[(3-bromo-4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072990
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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 82099441) is 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is OMQDHTMUTVVPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-10-2-5-12(8-16)14(18)17(10)9-11-3-6-13(15)7-4-11/h2-7H,9H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).