3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid

C13H7Cl3N2O3 — CID 107048836

IUPAC3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1cccc(Cl)n1
InChIInChI=1S/C13H7Cl3N2O3/c14-6-4-5-7(15)11(10(6)13(20)21)18-12(19)8-2-1-3-9(16)17-8/h1-5H,(H,18,19)(H,20,21)
InChIKeyKQQPSJVGGWTNBX-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.99
Rot. Bonds3

About 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid

3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 107048836) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
PubChem CID107048836
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1cccc(Cl)n1
InChIInChI=1S/C13H7Cl3N2O3/c14-6-4-5-7(15)11(10(6)13(20)21)18-12(19)8-2-1-3-9(16)17-8/h1-5H,(H,18,19)(H,20,21)
InChIKeyKQQPSJVGGWTNBX-UHFFFAOYSA-N
XLogP3.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.99
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

3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539
2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
CID 107048547
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid
CID 107047863
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 107048425
2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496435
6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62240088
bis(6-chloro-2-pyridinyl)methanone
CID 102384352
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid
CID 107048071
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid (CID 107048836) is 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid is O=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1cccc(Cl)n1.
What is the InChIKey of 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is KQQPSJVGGWTNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-6-4-5-7(15)11(10(6)13(20)21)18-12(19)8-2-1-3-9(16)17-8/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid?
3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 345.57 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107048836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).