3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid

C13H8Cl2N2O3 — CID 60657143

IUPAC3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-10-5-8(6-11(15)17-10)12(18)16-9-3-1-2-7(4-9)13(19)20/h1-6H,(H,16,18)(H,19,20)
InChIKeyREMCKCJYOUZRPE-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.34
Rot. Bonds3

About 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid

3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid (PubChem CID 60657143) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
PubChem CID60657143
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-10-5-8(6-11(15)17-10)12(18)16-9-3-1-2-7(4-9)13(19)20/h1-6H,(H,16,18)(H,19,20)
InChIKeyREMCKCJYOUZRPE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-amino-6-chloro-N-(3-iodophenyl)pyridine-4-carboxamide
CID 62154226
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
CID 43452757
3-[[4-(2,2-dimethylpropanoyl)benzoyl]amino]benzoic acid
CID 18949195
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741856
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid (CID 60657143) is 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1.
What is the InChIKey of 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is REMCKCJYOUZRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-10-5-8(6-11(15)17-10)12(18)16-9-3-1-2-7(4-9)13(19)20/h1-6H,(H,16,18)(H,19,20).
What are the key properties of 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid?
3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic 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 3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 60657143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).