1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile

C13H8Cl2N2O — CID 82419058

IUPAC1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)c(C#N)cn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2N2O/c1-8-5-12(18)9(6-16)7-17(8)11-4-2-3-10(14)13(11)15/h2-5,7H,1H3
InChIKeyWEXLEFDPQZAYBW-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.32
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile

1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile (PubChem CID 82419058) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
PubChem CID82419058
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)c(C#N)cn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8Cl2N2O/c1-8-5-12(18)9(6-16)7-17(8)11-4-2-3-10(14)13(11)15/h2-5,7H,1H3
InChIKeyWEXLEFDPQZAYBW-UHFFFAOYSA-N
XLogP3.32
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one
CID 82467267
1-(3-chloro-4-fluorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82420458
6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)pyridine-3-carbonitrile
CID 82420859
1-(3-methoxyphenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82420996
5-amino-1-(2-chlorophenyl)-2-methylpyridin-4-one
CID 82467411
1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile
CID 95564348
1-(3-chloro-2-fluorophenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79876423
acetic acid;2,3-dichlorobenzonitrile
CID 175302579
5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
CID 82419859
1-(5-chloro-2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82118192
5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one
CID 82467413
3-[3-(2,3-dichlorophenyl)-4-hydroxy-2-oxoimidazol-1-yl]benzoic acid
CID 90873087

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile (CID 82419058) is 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile is Cc1cc(=O)c(C#N)cn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile?
The InChIKey is WEXLEFDPQZAYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c1-8-5-12(18)9(6-16)7-17(8)11-4-2-3-10(14)13(11)15/h2-5,7H,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile?
1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile has a molecular weight of 279.13 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82419058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).