2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde

C22H20FNO — CID 21471454

IUPAC2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde
SMILESCC(C)(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C22H20FNO/c1-22(2,3)21-19(14-25)18(15-9-11-17(23)12-10-15)13-20(24-21)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyCNVJEGYKMHUPNL-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.66
Rot. Bonds3

About 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde

2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde (PubChem CID 21471454) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde
PubChem CID21471454
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde
SMILESCC(C)(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C22H20FNO/c1-22(2,3)21-19(14-25)18(15-9-11-17(23)12-10-15)13-20(24-21)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyCNVJEGYKMHUPNL-UHFFFAOYSA-N
XLogP5.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.66
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 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde?
The IUPAC name of 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde (CID 21471454) is 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde?
The canonical SMILES for 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde is CC(C)(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde?
The InChIKey is CNVJEGYKMHUPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-22(2,3)21-19(14-25)18(15-9-11-17(23)12-10-15)13-20(24-21)16-7-5-4-6-8-16/h4-14H,1-3H3.
What are the key properties of 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde?
2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde has a molecular weight of 333.41 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde is sourced from PubChem (CID 21471454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).