3-(furan-2-yl)pyridine-4-carbaldehyde

C10H7NO2 — CID 96630720

IUPAC3-(furan-2-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1ccco1
InChIInChI=1S/C10H7NO2/c12-7-8-3-4-11-6-9(8)10-2-1-5-13-10/h1-7H
InChIKeyBFKXYLXJERMNJQ-UHFFFAOYSA-N
MW173.17 g/mol
LogP2.15
Rot. Bonds2

About 3-(furan-2-yl)pyridine-4-carbaldehyde

3-(furan-2-yl)pyridine-4-carbaldehyde (PubChem CID 96630720) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(furan-2-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(furan-2-yl)pyridine-4-carbaldehyde
PubChem CID96630720
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name3-(furan-2-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1ccco1
InChIInChI=1S/C10H7NO2/c12-7-8-3-4-11-6-9(8)10-2-1-5-13-10/h1-7H
InChIKeyBFKXYLXJERMNJQ-UHFFFAOYSA-N
XLogP2.15
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(furan-2-yl)pyridine-4-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 3-(furan-2-yl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(furan-2-yl)pyridine-4-carbaldehyde (CID 96630720) is 3-(furan-2-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(furan-2-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(furan-2-yl)pyridine-4-carbaldehyde is O=Cc1ccncc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)pyridine-4-carbaldehyde?
The InChIKey is BFKXYLXJERMNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-7-8-3-4-11-6-9(8)10-2-1-5-13-10/h1-7H.
What are the key properties of 3-(furan-2-yl)pyridine-4-carbaldehyde?
3-(furan-2-yl)pyridine-4-carbaldehyde has a molecular weight of 173.17 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 96630720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).