5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid

C13H8BrClN2O3 — CID 45434067

IUPAC5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H8BrClN2O3/c14-7-3-4-10(9(6-7)13(19)20)17-12(18)8-2-1-5-16-11(8)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyBEFVVDVNZJCWJN-UHFFFAOYSA-N
MW355.58 g/mol
LogP3.45
Rot. Bonds3

About 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid

5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid (PubChem CID 45434067) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
PubChem CID45434067
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC Name5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H8BrClN2O3/c14-7-3-4-10(9(6-7)13(19)20)17-12(18)8-2-1-5-16-11(8)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyBEFVVDVNZJCWJN-UHFFFAOYSA-N
XLogP3.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid (CID 45434067) is 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid is O=C(O)c1cc(Br)ccc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is BEFVVDVNZJCWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-7-3-4-10(9(6-7)13(19)20)17-12(18)8-2-1-5-16-11(8)15/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 355.58 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 45434067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).