1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde

C24H19FN2O2 — CID 174411233

IUPAC1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde
SMILESCOc1cccc(C2=CC(c3ccccn3)=CN(c3ccc(F)cc3)C2C=O)c1
InChIInChI=1S/C24H19FN2O2/c1-29-21-6-4-5-17(13-21)22-14-18(23-7-2-3-12-26-23)15-27(24(22)16-28)20-10-8-19(25)9-11-20/h2-16,24H,1H3
InChIKeyFNVACQBNZJFTQI-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.74
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde (PubChem CID 174411233) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde
PubChem CID174411233
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde
SMILESCOc1cccc(C2=CC(c3ccccn3)=CN(c3ccc(F)cc3)C2C=O)c1
InChIInChI=1S/C24H19FN2O2/c1-29-21-6-4-5-17(13-21)22-14-18(23-7-2-3-12-26-23)15-27(24(22)16-28)20-10-8-19(25)9-11-20/h2-16,24H,1H3
InChIKeyFNVACQBNZJFTQI-UHFFFAOYSA-N
XLogP4.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-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 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde (CID 174411233) is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde is COc1cccc(C2=CC(c3ccccn3)=CN(c3ccc(F)cc3)C2C=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde?
The InChIKey is FNVACQBNZJFTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-29-21-6-4-5-17(13-21)22-14-18(23-7-2-3-12-26-23)15-27(24(22)16-28)20-10-8-19(25)9-11-20/h2-16,24H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde?
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde has a molecular weight of 386.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-pyridin-2-yl-2H-pyridine-2-carbaldehyde is sourced from PubChem (CID 174411233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).