2-bromo-2-fluoro-1H-pyridine

C5H5BrFN — CID 67998121

IUPAC2-bromo-2-fluoro-1H-pyridine
SMILESFC1(Br)C=CC=CN1
InChIInChI=1S/C5H5BrFN/c6-5(7)3-1-2-4-8-5/h1-4,8H
InChIKeyKGRWATMZMWTGSL-UHFFFAOYSA-N
MW178.00 g/mol
LogP1.68
Rot. Bonds

About 2-bromo-2-fluoro-1H-pyridine

2-bromo-2-fluoro-1H-pyridine (PubChem CID 67998121) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 2-bromo-2-fluoro-1H-pyridine.

Molecular Properties

Compound Name2-bromo-2-fluoro-1H-pyridine
PubChem CID67998121
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name2-bromo-2-fluoro-1H-pyridine
SMILESFC1(Br)C=CC=CN1
InChIInChI=1S/C5H5BrFN/c6-5(7)3-1-2-4-8-5/h1-4,8H
InChIKeyKGRWATMZMWTGSL-UHFFFAOYSA-N
XLogP1.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-fluoro-1H-pyridine?
The IUPAC name of 2-bromo-2-fluoro-1H-pyridine (CID 67998121) is 2-bromo-2-fluoro-1H-pyridine.
What is the SMILES notation for 2-bromo-2-fluoro-1H-pyridine?
The canonical SMILES for 2-bromo-2-fluoro-1H-pyridine is FC1(Br)C=CC=CN1.
What is the InChIKey of 2-bromo-2-fluoro-1H-pyridine?
The InChIKey is KGRWATMZMWTGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-5(7)3-1-2-4-8-5/h1-4,8H.
What are the key properties of 2-bromo-2-fluoro-1H-pyridine?
2-bromo-2-fluoro-1H-pyridine has a molecular weight of 178.00 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-fluoro-1H-pyridine is sourced from PubChem (CID 67998121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).