4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C13H8Cl2N2O — CID 930518

IUPAC4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Cl)cc2Cl)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H8Cl2N2O/c1-7-4-10(11(6-16)13(18)17-7)9-3-2-8(14)5-12(9)15/h2-5H,1H3,(H,17,18)
InChIKeyRHPYWFJFFJOGQW-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.53
Rot. Bonds1

About 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 930518) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID930518
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Cl)cc2Cl)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H8Cl2N2O/c1-7-4-10(11(6-16)13(18)17-7)9-3-2-8(14)5-12(9)15/h2-5H,1H3,(H,17,18)
InChIKeyRHPYWFJFFJOGQW-UHFFFAOYSA-N
XLogP3.53
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 930518) is 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(Cl)cc2Cl)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is RHPYWFJFFJOGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c1-7-4-10(11(6-16)13(18)17-7)9-3-2-8(14)5-12(9)15/h2-5H,1H3,(H,17,18).
What are the key properties of 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 279.13 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 930518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).