2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal

C23H20FNO — CID 21471348

IUPAC2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal
SMILESC=C(C=O)c1c(C(C)C)cc(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H20FNO/c1-15(2)20-13-21(17-7-5-4-6-8-17)25-23(22(20)16(3)14-26)18-9-11-19(24)12-10-18/h4-15H,3H2,1-2H3
InChIKeyJRBIJMMNCFMXDS-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.89
Rot. Bonds5

About 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal

2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal (PubChem CID 21471348) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal
PubChem CID21471348
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal
SMILESC=C(C=O)c1c(C(C)C)cc(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H20FNO/c1-15(2)20-13-21(17-7-5-4-6-8-17)25-23(22(20)16(3)14-26)18-9-11-19(24)12-10-18/h4-15H,3H2,1-2H3
InChIKeyJRBIJMMNCFMXDS-UHFFFAOYSA-N
XLogP5.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal (CID 21471348) is 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal is C=C(C=O)c1c(C(C)C)cc(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal?
The InChIKey is JRBIJMMNCFMXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO/c1-15(2)20-13-21(17-7-5-4-6-8-17)25-23(22(20)16(3)14-26)18-9-11-19(24)12-10-18/h4-15H,3H2,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal?
2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal has a molecular weight of 345.42 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-phenyl-4-propan-2-yl-3-pyridinyl]prop-2-enal is sourced from PubChem (CID 21471348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).