2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid

C13H7Cl3N2O3 — CID 114917869

IUPAC2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Cl)ncc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3N2O3/c14-9-2-1-6(3-8(9)13(20)21)18-12(19)7-4-11(16)17-5-10(7)15/h1-5H,(H,18,19)(H,20,21)
InChIKeyQHZLBWVHVWBBRY-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.99
Rot. Bonds3

About 2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid

2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid (PubChem CID 114917869) has the molecular formula C13H7Cl3N2O3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
PubChem CID114917869
Molecular FormulaC13H7Cl3N2O3
Molecular Weight345.57 g/mol
Exact Mass343.95
IUPAC Name2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cc(Cl)ncc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl3N2O3/c14-9-2-1-6(3-8(9)13(20)21)18-12(19)7-4-11(16)17-5-10(7)15/h1-5H,(H,18,19)(H,20,21)
InChIKeyQHZLBWVHVWBBRY-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-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 106993313
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
CID 114917371
2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 114917622
2,5-dichloro-N-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917538
2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide
CID 114917851
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid (CID 114917869) is 2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid is O=C(O)c1cc(NC(=O)c2cc(Cl)ncc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is QHZLBWVHVWBBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O3/c14-9-2-1-6(3-8(9)13(20)21)18-12(19)7-4-11(16)17-5-10(7)15/h1-5H,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid?
2-chloro-5-[(2,5-dichloropyridine-4-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-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 114917869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).