6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde

C19H22FNO — CID 21471365

IUPAC6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C19H22FNO/c1-12(2)18-16(11-22)15(10-17(21-18)19(3,4)5)13-6-8-14(20)9-7-13/h6-12H,1-5H3
InChIKeyWFJIPVAAEGMHKE-UHFFFAOYSA-N
MW299.39 g/mol
LogP5.12
Rot. Bonds3

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

6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 21471365) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde
PubChem CID21471365
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C19H22FNO/c1-12(2)18-16(11-22)15(10-17(21-18)19(3,4)5)13-6-8-14(20)9-7-13/h6-12H,1-5H3
InChIKeyWFJIPVAAEGMHKE-UHFFFAOYSA-N
XLogP5.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.39
LogP ≤ 55.12
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 6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde (CID 21471365) is 6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde is CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is WFJIPVAAEGMHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-12(2)18-16(11-22)15(10-17(21-18)19(3,4)5)13-6-8-14(20)9-7-13/h6-12H,1-5H3.
What are the key properties of 6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde?
6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 299.39 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 21471365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).