3-(5-bromo-2-pyridinyl)benzaldehyde

C12H8BrNO — CID 110282348

IUPAC3-(5-bromo-2-pyridinyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(Br)cn2)c1
InChIInChI=1S/C12H8BrNO/c13-11-4-5-12(14-7-11)10-3-1-2-9(6-10)8-15/h1-8H
InChIKeyIGRXPTRIIOCTGG-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.32
Rot. Bonds2

About 3-(5-bromo-2-pyridinyl)benzaldehyde

3-(5-bromo-2-pyridinyl)benzaldehyde (PubChem CID 110282348) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)benzaldehyde
PubChem CID110282348
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name3-(5-bromo-2-pyridinyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(Br)cn2)c1
InChIInChI=1S/C12H8BrNO/c13-11-4-5-12(14-7-11)10-3-1-2-9(6-10)8-15/h1-8H
InChIKeyIGRXPTRIIOCTGG-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-bromo-2-pyridinyl)benzaldehyde 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-(5-bromo-2-pyridinyl)benzaldehyde?
The IUPAC name of 3-(5-bromo-2-pyridinyl)benzaldehyde (CID 110282348) is 3-(5-bromo-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)benzaldehyde?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)benzaldehyde is O=Cc1cccc(-c2ccc(Br)cn2)c1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)benzaldehyde?
The InChIKey is IGRXPTRIIOCTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-11-4-5-12(14-7-11)10-3-1-2-9(6-10)8-15/h1-8H.
What are the key properties of 3-(5-bromo-2-pyridinyl)benzaldehyde?
3-(5-bromo-2-pyridinyl)benzaldehyde has a molecular weight of 262.11 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 110282348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).