5-bromo-2-chloropyridine-4-carbaldehyde

C6H3BrClNO — CID 53418381

IUPAC5-bromo-2-chloropyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)ncc1Br
InChIInChI=1S/C6H3BrClNO/c7-5-2-9-6(8)1-4(5)3-10/h1-3H
InChIKeyMAGFXBKNQAAQQA-UHFFFAOYSA-N
MW220.45 g/mol
LogP2.31
Rot. Bonds1

About 5-bromo-2-chloropyridine-4-carbaldehyde

5-bromo-2-chloropyridine-4-carbaldehyde (PubChem CID 53418381) has the molecular formula C6H3BrClNO and a molecular weight of 220.45 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-chloropyridine-4-carbaldehyde
PubChem CID53418381
Molecular FormulaC6H3BrClNO
Molecular Weight220.45 g/mol
Exact Mass218.91
IUPAC Name5-bromo-2-chloropyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)ncc1Br
InChIInChI=1S/C6H3BrClNO/c7-5-2-9-6(8)1-4(5)3-10/h1-3H
InChIKeyMAGFXBKNQAAQQA-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 5-bromo-2-chloropyridine-4-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 5-bromo-2-chloropyridine-4-carbaldehyde?
The IUPAC name of 5-bromo-2-chloropyridine-4-carbaldehyde (CID 53418381) is 5-bromo-2-chloropyridine-4-carbaldehyde.
What is the SMILES notation for 5-bromo-2-chloropyridine-4-carbaldehyde?
The canonical SMILES for 5-bromo-2-chloropyridine-4-carbaldehyde is O=Cc1cc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloropyridine-4-carbaldehyde?
The InChIKey is MAGFXBKNQAAQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClNO/c7-5-2-9-6(8)1-4(5)3-10/h1-3H.
What are the key properties of 5-bromo-2-chloropyridine-4-carbaldehyde?
5-bromo-2-chloropyridine-4-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 5-bromo-2-chloropyridine-4-carbaldehyde is sourced from PubChem (CID 53418381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).