4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde

C22H20FNO — CID 21471324

IUPAC4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCc1cc(F)ccc1-c1cc(-c2ccccc2)nc(C(C)C)c1C=O
InChIInChI=1S/C22H20FNO/c1-14(2)22-20(13-25)19(18-10-9-17(23)11-15(18)3)12-21(24-22)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyOTXAGKWDUWLTTQ-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.80
Rot. Bonds4

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

4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 21471324) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
PubChem CID21471324
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCc1cc(F)ccc1-c1cc(-c2ccccc2)nc(C(C)C)c1C=O
InChIInChI=1S/C22H20FNO/c1-14(2)22-20(13-25)19(18-10-9-17(23)11-15(18)3)12-21(24-22)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyOTXAGKWDUWLTTQ-UHFFFAOYSA-N
XLogP5.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.80
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-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde (CID 21471324) is 4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde is Cc1cc(F)ccc1-c1cc(-c2ccccc2)nc(C(C)C)c1C=O.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is OTXAGKWDUWLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-14(2)22-20(13-25)19(18-10-9-17(23)11-15(18)3)12-21(24-22)16-7-5-4-6-8-16/h4-14H,1-3H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde?
4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 333.41 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 21471324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).