1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C15H13ClN2O — CID 94282119

IUPAC1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(Cl)ccc1-n1cc(C)c(C)c(C#N)c1=O
InChIInChI=1S/C15H13ClN2O/c1-9-6-12(16)4-5-14(9)18-8-10(2)11(3)13(7-17)15(18)19/h4-6,8H,1-3H3
InChIKeyOEQMFGAFAGNSNU-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.29
Rot. Bonds1

About 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile

1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 94282119) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID94282119
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(Cl)ccc1-n1cc(C)c(C)c(C#N)c1=O
InChIInChI=1S/C15H13ClN2O/c1-9-6-12(16)4-5-14(9)18-8-10(2)11(3)13(7-17)15(18)19/h4-6,8H,1-3H3
InChIKeyOEQMFGAFAGNSNU-UHFFFAOYSA-N
XLogP3.29
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-4-methylquinolin-2(1H)-one
CID 606322
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CID 646296
4-Chloro-1-methylquinolin-2(1H)-one
CID 236926
5-(((6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955397
4-(4-chloro-N-methylanilino)-1-methylquinolin-2-one
CID 3240918
1-(2-chloro-6H-dibenzo[b,f]azocin-5-yl)-ethanone
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5-Chloro-2-(2,5-dioxopyrrol-1-yl)benzonitrile
CID 2731155
4-butyl-1-(2-chloro-6-methylphenyl)-5-methylene-2-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile
CID 11580298
2,4(1H,3H)-Pyrimidinedione, dihydro-1-(4-chloro-2-methylphenyl)-3-methyl-
CID 3059885
3-Amino-6-chloro-1-methyl-4-phenylcarbostyril
CID 145782
4'-Chloro-O-propionotoluidide
CID 4176527
4-butyl-1-(3-chloro-2-methylphenyl)-5-methylene-2-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile
CID 52947053

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 94282119) is 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(Cl)ccc1-n1cc(C)c(C)c(C#N)c1=O.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is OEQMFGAFAGNSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-9-6-12(16)4-5-14(9)18-8-10(2)11(3)13(7-17)15(18)19/h4-6,8H,1-3H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 94282119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).