3-bromo-6-chloropyridine-2-carbaldehyde

C6H3BrClNO — CID 71721004

IUPAC3-bromo-6-chloropyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)ccc1Br
InChIInChI=1S/C6H3BrClNO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H
InChIKeyQJDOKQZCTKPLOY-UHFFFAOYSA-N
MW220.45 g/mol
LogP2.31
Rot. Bonds1

About 3-bromo-6-chloropyridine-2-carbaldehyde

3-bromo-6-chloropyridine-2-carbaldehyde (PubChem CID 71721004) has the molecular formula C6H3BrClNO and a molecular weight of 220.45 g/mol. Its IUPAC name is 3-bromo-6-chloropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-6-chloropyridine-2-carbaldehyde
PubChem CID71721004
Molecular FormulaC6H3BrClNO
Molecular Weight220.45 g/mol
Exact Mass218.91
IUPAC Name3-bromo-6-chloropyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)ccc1Br
InChIInChI=1S/C6H3BrClNO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H
InChIKeyQJDOKQZCTKPLOY-UHFFFAOYSA-N
XLogP2.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-6-chloropyridine-2-carbaldehyde 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-chloropyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-6-chloropyridine-2-carbaldehyde (CID 71721004) is 3-bromo-6-chloropyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-6-chloropyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-6-chloropyridine-2-carbaldehyde is O=Cc1nc(Cl)ccc1Br.
What is the InChIKey of 3-bromo-6-chloropyridine-2-carbaldehyde?
The InChIKey is QJDOKQZCTKPLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClNO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H.
What are the key properties of 3-bromo-6-chloropyridine-2-carbaldehyde?
3-bromo-6-chloropyridine-2-carbaldehyde has a molecular weight of 220.45 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-chloropyridine-2-carbaldehyde is sourced from PubChem (CID 71721004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).