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

C13H10N2O — CID 82077939

IUPAC4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc[nH]c(=O)c1C#N
InChIInChI=1S/C13H10N2O/c1-9-4-2-3-5-10(9)11-6-7-15-13(16)12(11)8-14/h2-7H,1H3,(H,15,16)
InChIKeyQHVDOBKWQDLMJV-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.22
Rot. Bonds1

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

4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82077939) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82077939
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc[nH]c(=O)c1C#N
InChIInChI=1S/C13H10N2O/c1-9-4-2-3-5-10(9)11-6-7-15-13(16)12(11)8-14/h2-7H,1H3,(H,15,16)
InChIKeyQHVDOBKWQDLMJV-UHFFFAOYSA-N
XLogP2.22
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 71683757
2-oxo-4-(2,3,4-trifluorophenyl)-1H-pyridine-3-carbonitrile
CID 82087328
2-amino-6-(2-methylphenyl)benzonitrile
CID 175804845
4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82091639
1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82084066
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 162028878
2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 1488766
3-methyl-5-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 59218676
4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 54062320
2-oxo-1H-cyclohepta[b]pyrrole-3-carbonitrile
CID 10080801
ethyl 2-chloroacetate;ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate;2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
CID 161058988

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 82077939) is 4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccccc1-c1cc[nH]c(=O)c1C#N.
What is the InChIKey of 4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is QHVDOBKWQDLMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-4-2-3-5-10(9)11-6-7-15-13(16)12(11)8-14/h2-7H,1H3,(H,15,16).
What are the key properties of 4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82077939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).