5,6-dibromopyridine-3-carboxylic acid

C6H3Br2NO2 — CID 901418

IUPAC5,6-dibromopyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Br)c(Br)c1
InChIInChI=1S/C6H3Br2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChIKeyABBCIGFWDCOGEQ-UHFFFAOYSA-N
MW280.90 g/mol
LogP2.30
Rot. Bonds1

About 5,6-dibromopyridine-3-carboxylic acid

5,6-dibromopyridine-3-carboxylic acid (PubChem CID 901418) has the molecular formula C6H3Br2NO2 and a molecular weight of 280.90 g/mol. Its IUPAC name is 5,6-dibromopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dibromopyridine-3-carboxylic acid
PubChem CID901418
Molecular FormulaC6H3Br2NO2
Molecular Weight280.90 g/mol
Exact Mass278.85
IUPAC Name5,6-dibromopyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Br)c(Br)c1
InChIInChI=1S/C6H3Br2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChIKeyABBCIGFWDCOGEQ-UHFFFAOYSA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.90
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-dibromopyridine-3-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

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromopyridine-3-carboxylic acid?
The IUPAC name of 5,6-dibromopyridine-3-carboxylic acid (CID 901418) is 5,6-dibromopyridine-3-carboxylic acid.
What is the SMILES notation for 5,6-dibromopyridine-3-carboxylic acid?
The canonical SMILES for 5,6-dibromopyridine-3-carboxylic acid is O=C(O)c1cnc(Br)c(Br)c1.
What is the InChIKey of 5,6-dibromopyridine-3-carboxylic acid?
The InChIKey is ABBCIGFWDCOGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11).
What are the key properties of 5,6-dibromopyridine-3-carboxylic acid?
5,6-dibromopyridine-3-carboxylic acid has a molecular weight of 280.90 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromopyridine-3-carboxylic acid is sourced from PubChem (CID 901418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).