2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid

C12H8BrClN2O2 — CID 86657259

IUPAC2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccc(Br)nc1
InChIInChI=1S/C12H8BrClN2O2/c13-11-4-2-8(6-15-11)16-10-3-1-7(14)5-9(10)12(17)18/h1-6,16H,(H,17,18)
InChIKeyIPDWAVBDORAMFO-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.94
Rot. Bonds3

About 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid

2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid (PubChem CID 86657259) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid
PubChem CID86657259
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccc(Br)nc1
InChIInChI=1S/C12H8BrClN2O2/c13-11-4-2-8(6-15-11)16-10-3-1-7(14)5-9(10)12(17)18/h1-6,16H,(H,17,18)
InChIKeyIPDWAVBDORAMFO-UHFFFAOYSA-N
XLogP3.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-bromo-5-methyl-3-pyridinyl)amino]-5-chlorobenzoic acid
CID 86657260
2-[(6-bromo-3-pyridinyl)amino]-5-cyclopropylbenzoic acid
CID 87383887
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480
5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
CID 63536953
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzoic acid
CID 107575496
2-(2-bromoanilino)-5-chlorobenzoic acid
CID 55225473
5-chloro-2-(3-ethoxyanilino)benzoic acid
CID 63538185
2-[(1-benzylindazol-5-yl)amino]-5-chlorobenzoic acid
CID 90152676
5-chloro-2-[(1,2-dimethylindol-5-yl)amino]benzoic acid
CID 46185781
5-acetyl-2-(4-chloroanilino)benzoic acid
CID 70686076
5-chloro-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
CID 90152581

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid?
The IUPAC name of 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid (CID 86657259) is 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid.
What is the SMILES notation for 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid?
The canonical SMILES for 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid is O=C(O)c1cc(Cl)ccc1Nc1ccc(Br)nc1.
What is the InChIKey of 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid?
The InChIKey is IPDWAVBDORAMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-11-4-2-8(6-15-11)16-10-3-1-7(14)5-9(10)12(17)18/h1-6,16H,(H,17,18).
What are the key properties of 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid?
2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid has a molecular weight of 327.57 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid is sourced from PubChem (CID 86657259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).