6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid

C13H8Cl2N2O3 — CID 43558439

IUPAC6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H8Cl2N2O3/c14-7-3-1-4-8(11(7)15)17-12(18)9-5-2-6-10(16-9)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyKKERACGSBFFZIR-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.34
Rot. Bonds3

About 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid

6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43558439) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43558439
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H8Cl2N2O3/c14-7-3-1-4-8(11(7)15)17-12(18)9-5-2-6-10(16-9)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyKKERACGSBFFZIR-UHFFFAOYSA-N
XLogP3.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
N-(2,3-dichlorophenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099767
N-(2,3-dichlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402707
2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496435
N-(2,3-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200687
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
N-(2-chlorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094857
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
CID 42110981
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid (CID 43558439) is 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is KKERACGSBFFZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-7-3-1-4-8(11(7)15)17-12(18)9-5-2-6-10(16-9)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 311.12 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43558439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).