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

C23H22FNO — CID 21471309

IUPAC5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCCc1c(-c2ccccc2)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C23H22FNO/c1-4-19-21(16-10-12-18(24)13-11-16)20(14-26)22(15(2)3)25-23(19)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3
InChIKeyBGLZKCRPBIUDQD-UHFFFAOYSA-N
MW347.43 g/mol
LogP6.05
Rot. Bonds5

About 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde

5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 21471309) has the molecular formula C23H22FNO and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
PubChem CID21471309
Molecular FormulaC23H22FNO
Molecular Weight347.43 g/mol
Exact Mass347.17
IUPAC Name5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCCc1c(-c2ccccc2)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C23H22FNO/c1-4-19-21(16-10-12-18(24)13-11-16)20(14-26)22(15(2)3)25-23(19)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3
InChIKeyBGLZKCRPBIUDQD-UHFFFAOYSA-N
XLogP6.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 56.05
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 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde (CID 21471309) is 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde is CCc1c(-c2ccccc2)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is BGLZKCRPBIUDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO/c1-4-19-21(16-10-12-18(24)13-11-16)20(14-26)22(15(2)3)25-23(19)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3.
What are the key properties of 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 347.43 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 21471309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).