4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C14H11ClN2O — CID 168586093

IUPAC4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)c1
InChIInChI=1S/C14H11ClN2O/c1-8-3-4-10(13(15)5-8)11-6-9(2)17-14(18)12(11)7-16/h3-6H,1-2H3,(H,17,18)
InChIKeyCJFGPPUIKMKHBZ-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.18
Rot. Bonds1

About 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168586093) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168586093
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)c1
InChIInChI=1S/C14H11ClN2O/c1-8-3-4-10(13(15)5-8)11-6-9(2)17-14(18)12(11)7-16/h3-6H,1-2H3,(H,17,18)
InChIKeyCJFGPPUIKMKHBZ-UHFFFAOYSA-N
XLogP3.18
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-4-pyrrolidin-1-ylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584570
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
6-methyl-2-oxo-4-(2,3,6-trichlorophenyl)-1H-pyridine-3-carbonitrile
CID 168586700
4-(2-chloro-5-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587175
4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
4-(3-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584512
4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656970
4-(2-bromo-5-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584524
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-(4-chloro-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585123
6-methyl-4-(4-methyl-2-phenylmethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168585258

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168586093) is 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(C)[nH]c(=O)c2C#N)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is CJFGPPUIKMKHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-3-4-10(13(15)5-8)11-6-9(2)17-14(18)12(11)7-16/h3-6H,1-2H3,(H,17,18).
What are the key properties of 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168586093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).