2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde

C11H7BrN2O — CID 54361520

IUPAC2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1-c1ccnc(Br)c1
InChIInChI=1S/C11H7BrN2O/c12-10-6-8(3-5-13-10)11-9(7-15)2-1-4-14-11/h1-7H
InChIKeyUMVOAUFZJBKXJG-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.72
Rot. Bonds2

About 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde

2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde (PubChem CID 54361520) has the molecular formula C11H7BrN2O and a molecular weight of 263.09 g/mol. Its IUPAC name is 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde
PubChem CID54361520
Molecular FormulaC11H7BrN2O
Molecular Weight263.09 g/mol
Exact Mass261.97
IUPAC Name2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde
SMILESO=Cc1cccnc1-c1ccnc(Br)c1
InChIInChI=1S/C11H7BrN2O/c12-10-6-8(3-5-13-10)11-9(7-15)2-1-4-14-11/h1-7H
InChIKeyUMVOAUFZJBKXJG-UHFFFAOYSA-N
XLogP2.72
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-pyridinyl)pyridine-3-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 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde (CID 54361520) is 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde is O=Cc1cccnc1-c1ccnc(Br)c1.
What is the InChIKey of 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde?
The InChIKey is UMVOAUFZJBKXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O/c12-10-6-8(3-5-13-10)11-9(7-15)2-1-4-14-11/h1-7H.
What are the key properties of 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde?
2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde has a molecular weight of 263.09 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-pyridinyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 54361520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).