2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid

C8H7BrClNO2 — CID 162768662

IUPAC2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CCl)nc1CBr
InChIInChI=1S/C8H7BrClNO2/c9-3-7-6(8(12)13)2-1-5(4-10)11-7/h1-2H,3-4H2,(H,12,13)
InChIKeyXLNAWALCMWZPJW-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.41
Rot. Bonds3

About 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid

2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid (PubChem CID 162768662) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid
PubChem CID162768662
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Name2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CCl)nc1CBr
InChIInChI=1S/C8H7BrClNO2/c9-3-7-6(8(12)13)2-1-5(4-10)11-7/h1-2H,3-4H2,(H,12,13)
InChIKeyXLNAWALCMWZPJW-UHFFFAOYSA-N
XLogP2.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-6-(chloromethyl)pyridine-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 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid (CID 162768662) is 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(CCl)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid?
The InChIKey is XLNAWALCMWZPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c9-3-7-6(8(12)13)2-1-5(4-10)11-7/h1-2H,3-4H2,(H,12,13).
What are the key properties of 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid?
2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid has a molecular weight of 264.51 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-(chloromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 162768662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).