4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine

C19H13BrFN — CID 141447914

IUPAC4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine
SMILESC=Cc1ccc(Br)cc1-c1cc(F)cc(-c2ccncc2)c1
InChIInChI=1S/C19H13BrFN/c1-2-13-3-4-17(20)12-19(13)16-9-15(10-18(21)11-16)14-5-7-22-8-6-14/h2-12H,1H2
InChIKeyANOSNMNFJKFFJE-UHFFFAOYSA-N
MW354.22 g/mol
LogP5.96
Rot. Bonds3

About 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine

4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine (PubChem CID 141447914) has the molecular formula C19H13BrFN and a molecular weight of 354.22 g/mol. Its IUPAC name is 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine.

Molecular Properties

Compound Name4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine
PubChem CID141447914
Molecular FormulaC19H13BrFN
Molecular Weight354.22 g/mol
Exact Mass353.02
IUPAC Name4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine
SMILESC=Cc1ccc(Br)cc1-c1cc(F)cc(-c2ccncc2)c1
InChIInChI=1S/C19H13BrFN/c1-2-13-3-4-17(20)12-19(13)16-9-15(10-18(21)11-16)14-5-7-22-8-6-14/h2-12H,1H2
InChIKeyANOSNMNFJKFFJE-UHFFFAOYSA-N
XLogP5.96
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 ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine?
The IUPAC name of 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine (CID 141447914) is 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine.
What is the SMILES notation for 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine?
The canonical SMILES for 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine is C=Cc1ccc(Br)cc1-c1cc(F)cc(-c2ccncc2)c1.
What is the InChIKey of 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine?
The InChIKey is ANOSNMNFJKFFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN/c1-2-13-3-4-17(20)12-19(13)16-9-15(10-18(21)11-16)14-5-7-22-8-6-14/h2-12H,1H2.
What are the key properties of 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine?
4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine has a molecular weight of 354.22 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromo-2-ethenylphenyl)-5-fluorophenyl]pyridine is sourced from PubChem (CID 141447914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).