1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile

C13H9ClN2O — CID 82118192

IUPAC1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cl)cc1-n1cccc(C#N)c1=O
InChIInChI=1S/C13H9ClN2O/c1-9-4-5-11(14)7-12(9)16-6-2-3-10(8-15)13(16)17/h2-7H,1H3
InChIKeyNMYRMPPHXJRQTC-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.67
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile

1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82118192) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82118192
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(Cl)cc1-n1cccc(C#N)c1=O
InChIInChI=1S/C13H9ClN2O/c1-9-4-5-11(14)7-12(9)16-6-2-3-10(8-15)13(16)17/h2-7H,1H3
InChIKeyNMYRMPPHXJRQTC-UHFFFAOYSA-N
XLogP2.67
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophen-2-yl)-2-oxopyridine-3-carbonitrile
CID 67868309
1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 39348499
5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one
CID 82467413
methyl 3-amino-1-(5-chloro-2-methylphenyl)-4-cyanopyrrole-2-carboxylate
CID 168511754
5-(4-chlorophenyl)-2-(3-cyano-2-oxo-1-pyridinyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
CID 69415174
1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione
CID 172906223
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
CID 82196284
1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 94282119
2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one
CID 7277251
1-(5-chloro-2-methylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 82362498
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
1-[(3,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 113231573

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile (CID 82118192) is 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile is Cc1ccc(Cl)cc1-n1cccc(C#N)c1=O.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is NMYRMPPHXJRQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-9-4-5-11(14)7-12(9)16-6-2-3-10(8-15)13(16)17/h2-7H,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile?
1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 244.68 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82118192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).