6-bromo-5-methylpyridine-3-carboxylic acid

C7H6BrNO2 — CID 54127574

IUPAC6-bromo-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1Br
InChIInChI=1S/C7H6BrNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H,10,11)
InChIKeyCUYJCEDJAWSYJG-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.85
Rot. Bonds1

About 6-bromo-5-methylpyridine-3-carboxylic acid

6-bromo-5-methylpyridine-3-carboxylic acid (PubChem CID 54127574) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is 6-bromo-5-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-5-methylpyridine-3-carboxylic acid
PubChem CID54127574
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name6-bromo-5-methylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)cnc1Br
InChIInChI=1S/C7H6BrNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H,10,11)
InChIKeyCUYJCEDJAWSYJG-UHFFFAOYSA-N
XLogP1.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-5-methylpyridine-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 6-bromo-5-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-5-methylpyridine-3-carboxylic acid (CID 54127574) is 6-bromo-5-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-5-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-5-methylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)cnc1Br.
What is the InChIKey of 6-bromo-5-methylpyridine-3-carboxylic acid?
The InChIKey is CUYJCEDJAWSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c1-4-2-5(7(10)11)3-9-6(4)8/h2-3H,1H3,(H,10,11).
What are the key properties of 6-bromo-5-methylpyridine-3-carboxylic acid?
6-bromo-5-methylpyridine-3-carboxylic acid has a molecular weight of 216.03 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 54127574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).