5-bromo-6-chloropyridine-3-carbaldehyde

C6H3BrClNO — CID 22397261

IUPAC5-bromo-6-chloropyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)c(Br)c1
InChIInChI=1S/C6H3BrClNO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H
InChIKeyJUMZDNQKFRBLAB-UHFFFAOYSA-N
MW220.45 g/mol
LogP2.31
Rot. Bonds1

About 5-bromo-6-chloropyridine-3-carbaldehyde

5-bromo-6-chloropyridine-3-carbaldehyde (PubChem CID 22397261) has the molecular formula C6H3BrClNO and a molecular weight of 220.45 g/mol. Its IUPAC name is 5-bromo-6-chloropyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-chloropyridine-3-carbaldehyde
PubChem CID22397261
Molecular FormulaC6H3BrClNO
Molecular Weight220.45 g/mol
Exact Mass218.91
IUPAC Name5-bromo-6-chloropyridine-3-carbaldehyde
SMILESO=Cc1cnc(Cl)c(Br)c1
InChIInChI=1S/C6H3BrClNO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H
InChIKeyJUMZDNQKFRBLAB-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloropyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-6-chloropyridine-3-carbaldehyde (CID 22397261) is 5-bromo-6-chloropyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-6-chloropyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-6-chloropyridine-3-carbaldehyde is O=Cc1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloropyridine-3-carbaldehyde?
The InChIKey is JUMZDNQKFRBLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClNO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H.
What are the key properties of 5-bromo-6-chloropyridine-3-carbaldehyde?
5-bromo-6-chloropyridine-3-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-6-chloropyridine-3-carbaldehyde is sourced from PubChem (CID 22397261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).