4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

C12H7ClN2O2 — CID 13403846

IUPAC4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(=O)[nH]c1O
InChIInChI=1S/C12H7ClN2O2/c13-8-3-1-7(2-4-8)9-5-11(16)15-12(17)10(9)6-14/h1-5H,(H2,15,16,17)
InChIKeyXYMCPJIOPVNRJG-UHFFFAOYSA-N
MW246.65 g/mol
LogP2.27
Rot. Bonds1

About 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 13403846) has the molecular formula C12H7ClN2O2 and a molecular weight of 246.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID13403846
Molecular FormulaC12H7ClN2O2
Molecular Weight246.65 g/mol
Exact Mass246.02
IUPAC Name4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(=O)[nH]c1O
InChIInChI=1S/C12H7ClN2O2/c13-8-3-1-7(2-4-8)9-5-11(16)15-12(17)10(9)6-14/h1-5H,(H2,15,16,17)
InChIKeyXYMCPJIOPVNRJG-UHFFFAOYSA-N
XLogP2.27
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156
2-hydroxy-6-oxo-4-(1H-pyrrol-3-yl)-1H-pyridine-3-carbonitrile
CID 116862188
2-hydroxy-6-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
CID 116862160
4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862206
2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 116862214
4-(2-bromophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862222
2-hydroxy-6-oxo-1H-pyridine-3,4-dicarbonitrile
CID 121227406
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862217
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 11369958
6-(4-chlorophenyl)-4-(3-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656908
4-(4-chlorophenyl)-6-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-2-methoxypyridine-3-carbonitrile
CID 135753499

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (CID 13403846) is 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)cc(=O)[nH]c1O.
What is the InChIKey of 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is XYMCPJIOPVNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2/c13-8-3-1-7(2-4-8)9-5-11(16)15-12(17)10(9)6-14/h1-5H,(H2,15,16,17).
What are the key properties of 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 246.65 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 13403846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).