2-fluoro-5-(1,2,2-triphenylethenyl)pyridine

C25H18FN — CID 167442654

IUPAC2-fluoro-5-(1,2,2-triphenylethenyl)pyridine
SMILESFc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H18FN/c26-23-17-16-22(18-27-23)25(21-14-8-3-9-15-21)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18H
InChIKeyNOLLYVILUSXYRL-UHFFFAOYSA-N
MW351.42 g/mol
LogP6.23
Rot. Bonds4

About 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine

2-fluoro-5-(1,2,2-triphenylethenyl)pyridine (PubChem CID 167442654) has the molecular formula C25H18FN and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-5-(1,2,2-triphenylethenyl)pyridine
PubChem CID167442654
Molecular FormulaC25H18FN
Molecular Weight351.42 g/mol
Exact Mass351.14
IUPAC Name2-fluoro-5-(1,2,2-triphenylethenyl)pyridine
SMILESFc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H18FN/c26-23-17-16-22(18-27-23)25(21-14-8-3-9-15-21)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18H
InChIKeyNOLLYVILUSXYRL-UHFFFAOYSA-N
XLogP6.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.42
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine?
The IUPAC name of 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine (CID 167442654) is 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine.
What is the SMILES notation for 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine?
The canonical SMILES for 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine is Fc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine?
The InChIKey is NOLLYVILUSXYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN/c26-23-17-16-22(18-27-23)25(21-14-8-3-9-15-21)24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-18H.
What are the key properties of 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine?
2-fluoro-5-(1,2,2-triphenylethenyl)pyridine has a molecular weight of 351.42 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1,2,2-triphenylethenyl)pyridine is sourced from PubChem (CID 167442654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).