4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

C13H9ClN2O — CID 82118171

IUPAC4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1ccc(-c2cccc(Cl)c2)c(C#N)c1=O
InChIInChI=1S/C13H9ClN2O/c1-16-6-5-11(12(8-15)13(16)17)9-3-2-4-10(14)7-9/h2-7H,1H3
InChIKeyXDYCWONRXDRAQD-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.58
Rot. Bonds1

About 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile

4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 82118171) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID82118171
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1ccc(-c2cccc(Cl)c2)c(C#N)c1=O
InChIInChI=1S/C13H9ClN2O/c1-16-6-5-11(12(8-15)13(16)17)9-3-2-4-10(14)7-9/h2-7H,1H3
InChIKeyXDYCWONRXDRAQD-UHFFFAOYSA-N
XLogP2.58
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(3-chlorophenyl)-6-methylpyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile (CID 82118171) is 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is Cn1ccc(-c2cccc(Cl)c2)c(C#N)c1=O.
What is the InChIKey of 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XDYCWONRXDRAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-16-6-5-11(12(8-15)13(16)17)9-3-2-4-10(14)7-9/h2-7H,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 244.68 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82118171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).