3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride

C7H7BrClNO2 — CID 127239643

IUPAC3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride
SMILESCc1ccc(Br)c(C(=O)O)n1.Cl
InChIInChI=1S/C7H6BrNO2.ClH/c1-4-2-3-5(8)6(9-4)7(10)11;/h2-3H,1H3,(H,10,11);1H
InChIKeySPBKQFYCGTULJG-UHFFFAOYSA-N
MW252.50 g/mol
LogP2.27
Rot. Bonds1

About 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride

3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride (PubChem CID 127239643) has the molecular formula C7H7BrClNO2 and a molecular weight of 252.50 g/mol. Its IUPAC name is 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride
PubChem CID127239643
Molecular FormulaC7H7BrClNO2
Molecular Weight252.50 g/mol
Exact Mass250.93
IUPAC Name3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride
SMILESCc1ccc(Br)c(C(=O)O)n1.Cl
InChIInChI=1S/C7H6BrNO2.ClH/c1-4-2-3-5(8)6(9-4)7(10)11;/h2-3H,1H3,(H,10,11);1H
InChIKeySPBKQFYCGTULJG-UHFFFAOYSA-N
XLogP2.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride 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 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride (CID 127239643) is 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride is Cc1ccc(Br)c(C(=O)O)n1.Cl.
What is the InChIKey of 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride?
The InChIKey is SPBKQFYCGTULJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2.ClH/c1-4-2-3-5(8)6(9-4)7(10)11;/h2-3H,1H3,(H,10,11);1H.
What are the key properties of 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride?
3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride has a molecular weight of 252.50 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methylpyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 127239643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).