5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde

C16H14BrNO2 — CID 166428515

IUPAC5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(Br)cc1OCC1Cc2ccccc2C1
InChIInChI=1S/C16H14BrNO2/c17-14-7-16(15(9-19)18-8-14)20-10-11-5-12-3-1-2-4-13(12)6-11/h1-4,7-9,11H,5-6,10H2
InChIKeyRUROJAOLQCKUDA-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.45
Rot. Bonds4

About 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde

5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde (PubChem CID 166428515) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde
PubChem CID166428515
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(Br)cc1OCC1Cc2ccccc2C1
InChIInChI=1S/C16H14BrNO2/c17-14-7-16(15(9-19)18-8-14)20-10-11-5-12-3-1-2-4-13(12)6-11/h1-4,7-9,11H,5-6,10H2
InChIKeyRUROJAOLQCKUDA-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-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-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde (CID 166428515) is 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde is O=Cc1ncc(Br)cc1OCC1Cc2ccccc2C1.
What is the InChIKey of 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde?
The InChIKey is RUROJAOLQCKUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-14-7-16(15(9-19)18-8-14)20-10-11-5-12-3-1-2-4-13(12)6-11/h1-4,7-9,11H,5-6,10H2.
What are the key properties of 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde?
5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde has a molecular weight of 332.20 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,3-dihydro-1H-inden-2-ylmethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 166428515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).