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

C23H20FNO — CID 173328198

IUPAC2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal
SMILESCC(C)c1cc(C=C(C=O)c2ccc(F)cc2)nc(-c2ccccc2)c1
InChIInChI=1S/C23H20FNO/c1-16(2)19-12-22(25-23(14-19)18-6-4-3-5-7-18)13-20(15-26)17-8-10-21(24)11-9-17/h3-16H,1-2H3
InChIKeyUPHGZHPRCXHKDN-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.75
Rot. Bonds5

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

2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal (PubChem CID 173328198) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal
PubChem CID173328198
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal
SMILESCC(C)c1cc(C=C(C=O)c2ccc(F)cc2)nc(-c2ccccc2)c1
InChIInChI=1S/C23H20FNO/c1-16(2)19-12-22(25-23(14-19)18-6-4-3-5-7-18)13-20(15-26)17-8-10-21(24)11-9-17/h3-16H,1-2H3
InChIKeyUPHGZHPRCXHKDN-UHFFFAOYSA-N
XLogP5.75
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 ≤ 55.75
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-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal?
The IUPAC name of 2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal (CID 173328198) is 2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal?
The canonical SMILES for 2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal is CC(C)c1cc(C=C(C=O)c2ccc(F)cc2)nc(-c2ccccc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal?
The InChIKey is UPHGZHPRCXHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO/c1-16(2)19-12-22(25-23(14-19)18-6-4-3-5-7-18)13-20(15-26)17-8-10-21(24)11-9-17/h3-16H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal?
2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal has a molecular weight of 345.42 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(6-phenyl-4-propan-2-yl-2-pyridinyl)prop-2-enal is sourced from PubChem (CID 173328198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).