2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine

C13H9BrFN — CID 134967930

IUPAC2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
SMILESF/C(=C\c1cccnc1Br)c1ccccc1
InChIInChI=1S/C13H9BrFN/c14-13-11(7-4-8-16-13)9-12(15)10-5-2-1-3-6-10/h1-9H/b12-9-
InChIKeyFFKMWDYHBSLMLC-XFXZXTDPSA-N
MW278.12 g/mol
LogP4.31
Rot. Bonds2

About 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine

2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine (PubChem CID 134967930) has the molecular formula C13H9BrFN and a molecular weight of 278.12 g/mol. Its IUPAC name is 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine.

Molecular Properties

Compound Name2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
PubChem CID134967930
Molecular FormulaC13H9BrFN
Molecular Weight278.12 g/mol
Exact Mass276.99
IUPAC Name2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
SMILESF/C(=C\c1cccnc1Br)c1ccccc1
InChIInChI=1S/C13H9BrFN/c14-13-11(7-4-8-16-13)9-12(15)10-5-2-1-3-6-10/h1-9H/b12-9-
InChIKeyFFKMWDYHBSLMLC-XFXZXTDPSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine?
The IUPAC name of 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine (CID 134967930) is 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine.
What is the SMILES notation for 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine?
The canonical SMILES for 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine is F/C(=C\c1cccnc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine?
The InChIKey is FFKMWDYHBSLMLC-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H9BrFN/c14-13-11(7-4-8-16-13)9-12(15)10-5-2-1-3-6-10/h1-9H/b12-9-.
What are the key properties of 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine?
2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine has a molecular weight of 278.12 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(Z)-2-fluoro-2-phenylethenyl]pyridine is sourced from PubChem (CID 134967930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).