3,6-dibromopyridine-2-carbaldehyde

C6H3Br2NO — CID 59268909

IUPAC3,6-dibromopyridine-2-carbaldehyde
SMILESO=Cc1nc(Br)ccc1Br
InChIInChI=1S/C6H3Br2NO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H
InChIKeyWGCZLYPDOYEWIW-UHFFFAOYSA-N
MW264.90 g/mol
LogP2.42
Rot. Bonds1

About 3,6-dibromopyridine-2-carbaldehyde

3,6-dibromopyridine-2-carbaldehyde (PubChem CID 59268909) has the molecular formula C6H3Br2NO and a molecular weight of 264.90 g/mol. Its IUPAC name is 3,6-dibromopyridine-2-carbaldehyde.

Molecular Properties

Compound Name3,6-dibromopyridine-2-carbaldehyde
PubChem CID59268909
Molecular FormulaC6H3Br2NO
Molecular Weight264.90 g/mol
Exact Mass262.86
IUPAC Name3,6-dibromopyridine-2-carbaldehyde
SMILESO=Cc1nc(Br)ccc1Br
InChIInChI=1S/C6H3Br2NO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H
InChIKeyWGCZLYPDOYEWIW-UHFFFAOYSA-N
XLogP2.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.90
LogP ≤ 52.42
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 3,6-dibromopyridine-2-carbaldehyde?
The IUPAC name of 3,6-dibromopyridine-2-carbaldehyde (CID 59268909) is 3,6-dibromopyridine-2-carbaldehyde.
What is the SMILES notation for 3,6-dibromopyridine-2-carbaldehyde?
The canonical SMILES for 3,6-dibromopyridine-2-carbaldehyde is O=Cc1nc(Br)ccc1Br.
What is the InChIKey of 3,6-dibromopyridine-2-carbaldehyde?
The InChIKey is WGCZLYPDOYEWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2NO/c7-4-1-2-6(8)9-5(4)3-10/h1-3H.
What are the key properties of 3,6-dibromopyridine-2-carbaldehyde?
3,6-dibromopyridine-2-carbaldehyde has a molecular weight of 264.90 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromopyridine-2-carbaldehyde is sourced from PubChem (CID 59268909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).