5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid

C12H7Cl2NO3 — CID 53223981

IUPAC5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H7Cl2NO3/c13-9-3-1-2-7(10(9)14)8-4-6(12(17)18)5-15-11(8)16/h1-5H,(H,15,16)(H,17,18)
InChIKeyLRNDKBILNSDORM-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.05
Rot. Bonds2

About 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid

5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 53223981) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID53223981
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H7Cl2NO3/c13-9-3-1-2-7(10(9)14)8-4-6(12(17)18)5-15-11(8)16/h1-5H,(H,15,16)(H,17,18)
InChIKeyLRNDKBILNSDORM-UHFFFAOYSA-N
XLogP3.05
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 53223981) is 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is LRNDKBILNSDORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-9-3-1-2-7(10(9)14)8-4-6(12(17)18)5-15-11(8)16/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 284.10 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53223981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).