5-bromo-2-(1-phenylethenyl)pyridine

C13H10BrN — CID 101057662

IUPAC5-bromo-2-(1-phenylethenyl)pyridine
SMILESC=C(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrN/c1-10(11-5-3-2-4-6-11)13-8-7-12(14)9-15-13/h2-9H,1H2
InChIKeyKHPFXCFULICFSN-UHFFFAOYSA-N
MW260.13 g/mol
LogP3.91
Rot. Bonds2

About 5-bromo-2-(1-phenylethenyl)pyridine

5-bromo-2-(1-phenylethenyl)pyridine (PubChem CID 101057662) has the molecular formula C13H10BrN and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-2-(1-phenylethenyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1-phenylethenyl)pyridine
PubChem CID101057662
Molecular FormulaC13H10BrN
Molecular Weight260.13 g/mol
Exact Mass259.00
IUPAC Name5-bromo-2-(1-phenylethenyl)pyridine
SMILESC=C(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C13H10BrN/c1-10(11-5-3-2-4-6-11)13-8-7-12(14)9-15-13/h2-9H,1H2
InChIKeyKHPFXCFULICFSN-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-phenylethenyl)pyridine?
The IUPAC name of 5-bromo-2-(1-phenylethenyl)pyridine (CID 101057662) is 5-bromo-2-(1-phenylethenyl)pyridine.
What is the SMILES notation for 5-bromo-2-(1-phenylethenyl)pyridine?
The canonical SMILES for 5-bromo-2-(1-phenylethenyl)pyridine is C=C(c1ccccc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(1-phenylethenyl)pyridine?
The InChIKey is KHPFXCFULICFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN/c1-10(11-5-3-2-4-6-11)13-8-7-12(14)9-15-13/h2-9H,1H2.
What are the key properties of 5-bromo-2-(1-phenylethenyl)pyridine?
5-bromo-2-(1-phenylethenyl)pyridine has a molecular weight of 260.13 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-phenylethenyl)pyridine is sourced from PubChem (CID 101057662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).