4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde

C17H16FNO2 — CID 90423946

IUPAC4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde
SMILESCCOc1nc(C=O)cc(C2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-2-21-17-16(12-5-7-13(18)8-6-12)15(11-3-4-11)9-14(10-20)19-17/h5-11H,2-4H2,1H3
InChIKeyMBYFFHMHCPDWSK-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.98
Rot. Bonds5

About 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde

4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde (PubChem CID 90423946) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde
PubChem CID90423946
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde
SMILESCCOc1nc(C=O)cc(C2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-2-21-17-16(12-5-7-13(18)8-6-12)15(11-3-4-11)9-14(10-20)19-17/h5-11H,2-4H2,1H3
InChIKeyMBYFFHMHCPDWSK-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)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 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde?
The IUPAC name of 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde (CID 90423946) is 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde is CCOc1nc(C=O)cc(C2CC2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde?
The InChIKey is MBYFFHMHCPDWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-2-21-17-16(12-5-7-13(18)8-6-12)15(11-3-4-11)9-14(10-20)19-17/h5-11H,2-4H2,1H3.
What are the key properties of 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde?
4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde has a molecular weight of 285.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 90423946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).