5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

C12H7ClN2O — CID 1479121

IUPAC5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(Cl)c2)c[nH]c1=O
InChIInChI=1S/C12H7ClN2O/c13-11-3-1-2-8(5-11)10-4-9(6-14)12(16)15-7-10/h1-5,7H,(H,15,16)
InChIKeyDBJFQRXFABBYJM-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.57
Rot. Bonds1

About 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 1479121) has the molecular formula C12H7ClN2O and a molecular weight of 230.65 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID1479121
Molecular FormulaC12H7ClN2O
Molecular Weight230.65 g/mol
Exact Mass230.02
IUPAC Name5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(Cl)c2)c[nH]c1=O
InChIInChI=1S/C12H7ClN2O/c13-11-3-1-2-8(5-11)10-4-9(6-14)12(16)15-7-10/h1-5,7H,(H,15,16)
InChIKeyDBJFQRXFABBYJM-UHFFFAOYSA-N
XLogP2.57
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 1479121) is 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1cc(-c2cccc(Cl)c2)c[nH]c1=O.
What is the InChIKey of 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DBJFQRXFABBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O/c13-11-3-1-2-8(5-11)10-4-9(6-14)12(16)15-7-10/h1-5,7H,(H,15,16).
What are the key properties of 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 230.65 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1479121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).