3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid

C13H7Cl3N2O3 — CID 82812539

IUPAC3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)c(NC(=O)c2cccc(Cl)n2)c(Cl)c1
InChIInChI=1S/C13H7Cl3N2O3/c14-7-4-6(13(20)21)5-8(15)11(7)18-12(19)9-2-1-3-10(16)17-9/h1-5H,(H,18,19)(H,20,21)
InChIKeyLMAXHZBCUAYQSI-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.99
Rot. Bonds3

About 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid

3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 82812539) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
PubChem CID82812539
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)c(NC(=O)c2cccc(Cl)n2)c(Cl)c1
InChIInChI=1S/C13H7Cl3N2O3/c14-7-4-6(13(20)21)5-8(15)11(7)18-12(19)9-2-1-3-10(16)17-9/h1-5H,(H,18,19)(H,20,21)
InChIKeyLMAXHZBCUAYQSI-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

3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 107048836
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62240088
2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55249925
3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
CID 82830924
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
3,5-dichloro-4-(phenoxycarbonylamino)benzoic acid
CID 82811858
2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324212
N-(4-bromo-2-chlorophenyl)-6-chloropyridine-2-carboxamide
CID 62234892
2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 62239394
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid (CID 82812539) is 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1cc(Cl)c(NC(=O)c2cccc(Cl)n2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is LMAXHZBCUAYQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-7-4-6(13(20)21)5-8(15)11(7)18-12(19)9-2-1-3-10(16)17-9/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid?
3,5-dichloro-4-[(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 3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 82812539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).