5-bromo-5-fluoro-2H-pyridine

C5H5BrFN — CID 66876808

IUPAC5-bromo-5-fluoro-2H-pyridine
SMILESFC1(Br)C=CCN=C1
InChIInChI=1S/C5H5BrFN/c6-5(7)2-1-3-8-4-5/h1-2,4H,3H2
InChIKeyGSEYGYSQUAZXMS-UHFFFAOYSA-N
MW178.00 g/mol
LogP1.69
Rot. Bonds

About 5-bromo-5-fluoro-2H-pyridine

5-bromo-5-fluoro-2H-pyridine (PubChem CID 66876808) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 5-bromo-5-fluoro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-5-fluoro-2H-pyridine
PubChem CID66876808
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name5-bromo-5-fluoro-2H-pyridine
SMILESFC1(Br)C=CCN=C1
InChIInChI=1S/C5H5BrFN/c6-5(7)2-1-3-8-4-5/h1-2,4H,3H2
InChIKeyGSEYGYSQUAZXMS-UHFFFAOYSA-N
XLogP1.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-5-fluoro-2H-pyridine?
The IUPAC name of 5-bromo-5-fluoro-2H-pyridine (CID 66876808) is 5-bromo-5-fluoro-2H-pyridine.
What is the SMILES notation for 5-bromo-5-fluoro-2H-pyridine?
The canonical SMILES for 5-bromo-5-fluoro-2H-pyridine is FC1(Br)C=CCN=C1.
What is the InChIKey of 5-bromo-5-fluoro-2H-pyridine?
The InChIKey is GSEYGYSQUAZXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-5(7)2-1-3-8-4-5/h1-2,4H,3H2.
What are the key properties of 5-bromo-5-fluoro-2H-pyridine?
5-bromo-5-fluoro-2H-pyridine has a molecular weight of 178.00 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5-fluoro-2H-pyridine is sourced from PubChem (CID 66876808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).