2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid

C13H7Cl3N2O3 — CID 106993313

IUPAC2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(Cl)nc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3N2O3/c14-9-3-1-6(5-8(9)13(20)21)17-12(19)7-2-4-10(15)18-11(7)16/h1-5H,(H,17,19)(H,20,21)
InChIKeyDHLCWPNCMXEXAV-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.99
Rot. Bonds3

About 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid

2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid (PubChem CID 106993313) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
PubChem CID106993313
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(Cl)nc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3N2O3/c14-9-3-1-6(5-8(9)13(20)21)17-12(19)7-2-4-10(15)18-11(7)16/h1-5H,(H,17,19)(H,20,21)
InChIKeyDHLCWPNCMXEXAV-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

2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 51133066
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
2-chloro-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 115590012
2,6-dichloro-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 106993306
2-[(3-acetyl-4-chlorophenyl)carbamoyl]benzoic acid
CID 85472718
2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
CID 159765877
2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 86846798
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
2,6-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
CID 21325138

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid (CID 106993313) is 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid is O=C(O)c1cc(NC(=O)c2ccc(Cl)nc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is DHLCWPNCMXEXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-9-3-1-6(5-8(9)13(20)21)17-12(19)7-2-4-10(15)18-11(7)16/h1-5H,(H,17,19)(H,20,21).
What are the key properties of 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid?
2-chloro-5-[(2,6-dichloropyridine-3-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 2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 106993313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).