5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid

C12H9BrClN3O2 — CID 107615648

IUPAC5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H9BrClN3O2/c13-7-2-1-6(5-8(7)14)16-11-9(15)3-4-10(17-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyVNCGQNZOIGAOKL-UHFFFAOYSA-N
MW342.58 g/mol
LogP3.52
Rot. Bonds3

About 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid

5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid (PubChem CID 107615648) has the molecular formula C12H9BrClN3O2 and a molecular weight of 342.58 g/mol. Its IUPAC name is 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
PubChem CID107615648
Molecular FormulaC12H9BrClN3O2
Molecular Weight342.58 g/mol
Exact Mass340.96
IUPAC Name5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H9BrClN3O2/c13-7-2-1-6(5-8(7)14)16-11-9(15)3-4-10(17-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19)
InChIKeyVNCGQNZOIGAOKL-UHFFFAOYSA-N
XLogP3.52
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic 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

5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
CID 114407056
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
5-amino-6-(2-bromo-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107637898
5-amino-6-(3,5-difluoroanilino)pyridine-2-carboxylic acid
CID 114405229
5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxylic acid
CID 114405280
6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
CID 107613331
5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
CID 114405561
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
3-amino-4-(4-bromo-3-chloroanilino)benzoic acid
CID 107615647
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid
CID 114405495
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid (CID 107615648) is 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid?
The InChIKey is VNCGQNZOIGAOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O2/c13-7-2-1-6(5-8(7)14)16-11-9(15)3-4-10(17-11)12(18)19/h1-5H,15H2,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid?
5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid has a molecular weight of 342.58 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 107615648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).