4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde

C21H18FNO — CID 14621979

IUPAC4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C21H18FNO/c1-14(2)21-19(13-24)18(15-8-10-17(22)11-9-15)12-20(23-21)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyOGHNMIVBLLOCIM-UHFFFAOYSA-N
MW319.38 g/mol
LogP5.49
Rot. Bonds4

About 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde

4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 14621979) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
PubChem CID14621979
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C21H18FNO/c1-14(2)21-19(13-24)18(15-8-10-17(22)11-9-15)12-20(23-21)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyOGHNMIVBLLOCIM-UHFFFAOYSA-N
XLogP5.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde (CID 14621979) is 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde is CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is OGHNMIVBLLOCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO/c1-14(2)21-19(13-24)18(15-8-10-17(22)11-9-15)12-20(23-21)16-6-4-3-5-7-16/h3-14H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 319.38 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 14621979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).