4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

C12H6Cl2N2O — CID 82091639

IUPAC4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(Cl)ccc2Cl)cc[nH]c1=O
InChIInChI=1S/C12H6Cl2N2O/c13-7-1-2-11(14)9(5-7)8-3-4-16-12(17)10(8)6-15/h1-5H,(H,16,17)
InChIKeyZJGJBHSDDDIZAP-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.22
Rot. Bonds1

About 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82091639) has the molecular formula C12H6Cl2N2O and a molecular weight of 265.10 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82091639
Molecular FormulaC12H6Cl2N2O
Molecular Weight265.10 g/mol
Exact Mass263.99
IUPAC Name4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc(Cl)ccc2Cl)cc[nH]c1=O
InChIInChI=1S/C12H6Cl2N2O/c13-7-1-2-11(14)9(5-7)8-3-4-16-12(17)10(8)6-15/h1-5H,(H,16,17)
InChIKeyZJGJBHSDDDIZAP-UHFFFAOYSA-N
XLogP3.22
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-4-(2,3,4-trifluorophenyl)-1H-pyridine-3-carbonitrile
CID 82087328
4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 71683757
4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82077939
4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092464
2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 1488766
4-(2-chloro-5-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587175
4-(2-bromo-5-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584524
4-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 67659151
9-chloro-1-oxo-2H-benzo[h]isoquinoline-6-carbonitrile
CID 15981968
2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
3-cyano-2-oxo-1H-pyridine-4-carboxylic acid
CID 82415014

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 82091639) is 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cc(Cl)ccc2Cl)cc[nH]c1=O.
What is the InChIKey of 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZJGJBHSDDDIZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O/c13-7-1-2-11(14)9(5-7)8-3-4-16-12(17)10(8)6-15/h1-5H,(H,16,17).
What are the key properties of 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 265.10 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82091639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).