1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C15H13ClN2O — CID 94282120

IUPAC1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(Cl)ccc1-n1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C15H13ClN2O/c1-9-6-11(3)18(15(19)13(9)8-17)14-5-4-12(16)7-10(14)2/h4-7H,1-3H3
InChIKeyKYUVXJJIXKPFQB-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.29
Rot. Bonds1

About 1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 94282120) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID94282120
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(Cl)ccc1-n1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C15H13ClN2O/c1-9-6-11(3)18(15(19)13(9)8-17)14-5-4-12(16)7-10(14)2/h4-7H,1-3H3
InChIKeyKYUVXJJIXKPFQB-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

1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 646296
1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 94282119
1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82120124
1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 57315076
3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile
CID 2324588
1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 5395416
1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 39348499
4-bromo-1-(4-chloro-2-methylphenyl)pyrazole-3-carbonitrile
CID 116818873
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
1-(2,4-dimethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117088
2-chloro-1-[1-(4-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]propan-1-one
CID 43145773
1-(5-chloro-2-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylic acid
CID 64920064

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 94282120) is 1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(Cl)ccc1-n1c(C)cc(C)c(C#N)c1=O.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is KYUVXJJIXKPFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-9-6-11(3)18(15(19)13(9)8-17)14-5-4-12(16)7-10(14)2/h4-7H,1-3H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(4-chloro-2-methylphenyl)-4,6-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)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 94282120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).