3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde

C20H20FNO2 — CID 90434061

IUPAC3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde
SMILESCc1cncc(OCC2=C(c3ccccc3F)CCCC2)c1C=O
InChIInChI=1S/C20H20FNO2/c1-14-10-22-11-20(18(14)12-23)24-13-15-6-2-3-7-16(15)17-8-4-5-9-19(17)21/h4-5,8-12H,2-3,6-7,13H2,1H3
InChIKeyXBJDIQFGAUYREI-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.75
Rot. Bonds5

About 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde

3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde (PubChem CID 90434061) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde
PubChem CID90434061
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde
SMILESCc1cncc(OCC2=C(c3ccccc3F)CCCC2)c1C=O
InChIInChI=1S/C20H20FNO2/c1-14-10-22-11-20(18(14)12-23)24-13-15-6-2-3-7-16(15)17-8-4-5-9-19(17)21/h4-5,8-12H,2-3,6-7,13H2,1H3
InChIKeyXBJDIQFGAUYREI-UHFFFAOYSA-N
XLogP4.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-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-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde?
The IUPAC name of 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde (CID 90434061) is 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde?
The canonical SMILES for 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde is Cc1cncc(OCC2=C(c3ccccc3F)CCCC2)c1C=O.
What is the InChIKey of 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde?
The InChIKey is XBJDIQFGAUYREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14-10-22-11-20(18(14)12-23)24-13-15-6-2-3-7-16(15)17-8-4-5-9-19(17)21/h4-5,8-12H,2-3,6-7,13H2,1H3.
What are the key properties of 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde?
3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde has a molecular weight of 325.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 90434061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).