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

C15H13ClN2O — CID 646296

IUPAC1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1Cl
InChIInChI=1S/C15H13ClN2O/c1-9-4-5-12(7-14(9)16)18-11(3)6-10(2)13(8-17)15(18)19/h4-7H,1-3H3
InChIKeyHZMMKVPICGICMK-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.29
Rot. Bonds1

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

1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 646296) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID646296
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1Cl
InChIInChI=1S/C15H13ClN2O/c1-9-4-5-12(7-14(9)16)18-11(3)6-10(2)13(8-17)15(18)19/h4-7H,1-3H3
InChIKeyHZMMKVPICGICMK-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-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 57315076
1-(4-chloro-2-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 94282120
1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124199
2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetonitrile
CID 12951933
3-(3-chloro-4-methylphenyl)-4-methyl-1H-imidazol-2-one
CID 81445596
1-(2-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 82120124
1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 974661
1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 5395416
2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
CID 3039305
1-(3-chloro-4-methylphenyl)pyrrole-2-carbonitrile
CID 19759418
4-(3-chloro-4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898417
1-(3,4-dimethylphenyl)-6-oxo-2-phenyl-4-sulfanylpyrimidine-5-carbonitrile
CID 71104456

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 646296) is 1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is HZMMKVPICGICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-9-4-5-12(7-14(9)16)18-11(3)6-10(2)13(8-17)15(18)19/h4-7H,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(3-chloro-4-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-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 646296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).