4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine

C19H13BrFN — CID 121481820

IUPAC4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine
SMILESFc1cc(/C=C/c2ccc(Br)cc2)cc(-c2ccncc2)c1
InChIInChI=1S/C19H13BrFN/c20-18-5-3-14(4-6-18)1-2-15-11-17(13-19(21)12-15)16-7-9-22-10-8-16/h1-13H/b2-1+
InChIKeyJJNWGIGUWXSEBF-OWOJBTEDSA-N
MW354.22 g/mol
LogP5.82
Rot. Bonds3

About 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine

4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine (PubChem CID 121481820) has the molecular formula C19H13BrFN and a molecular weight of 354.22 g/mol. Its IUPAC name is 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine.

Molecular Properties

Compound Name4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine
PubChem CID121481820
Molecular FormulaC19H13BrFN
Molecular Weight354.22 g/mol
Exact Mass353.02
IUPAC Name4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine
SMILESFc1cc(/C=C/c2ccc(Br)cc2)cc(-c2ccncc2)c1
InChIInChI=1S/C19H13BrFN/c20-18-5-3-14(4-6-18)1-2-15-11-17(13-19(21)12-15)16-7-9-22-10-8-16/h1-13H/b2-1+
InChIKeyJJNWGIGUWXSEBF-OWOJBTEDSA-N
XLogP5.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.22
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine?
The IUPAC name of 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine (CID 121481820) is 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine.
What is the SMILES notation for 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine?
The canonical SMILES for 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine is Fc1cc(/C=C/c2ccc(Br)cc2)cc(-c2ccncc2)c1.
What is the InChIKey of 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine?
The InChIKey is JJNWGIGUWXSEBF-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H13BrFN/c20-18-5-3-14(4-6-18)1-2-15-11-17(13-19(21)12-15)16-7-9-22-10-8-16/h1-13H/b2-1+.
What are the key properties of 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine?
4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine has a molecular weight of 354.22 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-2-(4-bromophenyl)ethenyl]-5-fluorophenyl]pyridine is sourced from PubChem (CID 121481820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).