1-bromo-3-fluoro-2H-pyridine

C5H5BrFN — CID 87240328

IUPAC1-bromo-3-fluoro-2H-pyridine
SMILESFC1=CC=CN(Br)C1
InChIInChI=1S/C5H5BrFN/c6-8-3-1-2-5(7)4-8/h1-3H,4H2
InChIKeyVFCUWDZLILEART-UHFFFAOYSA-N
MW178.00 g/mol
LogP1.98
Rot. Bonds

About 1-bromo-3-fluoro-2H-pyridine

1-bromo-3-fluoro-2H-pyridine (PubChem CID 87240328) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2H-pyridine.

Molecular Properties

Compound Name1-bromo-3-fluoro-2H-pyridine
PubChem CID87240328
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name1-bromo-3-fluoro-2H-pyridine
SMILESFC1=CC=CN(Br)C1
InChIInChI=1S/C5H5BrFN/c6-8-3-1-2-5(7)4-8/h1-3H,4H2
InChIKeyVFCUWDZLILEART-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2H-pyridine?
The IUPAC name of 1-bromo-3-fluoro-2H-pyridine (CID 87240328) is 1-bromo-3-fluoro-2H-pyridine.
What is the SMILES notation for 1-bromo-3-fluoro-2H-pyridine?
The canonical SMILES for 1-bromo-3-fluoro-2H-pyridine is FC1=CC=CN(Br)C1.
What is the InChIKey of 1-bromo-3-fluoro-2H-pyridine?
The InChIKey is VFCUWDZLILEART-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-8-3-1-2-5(7)4-8/h1-3H,4H2.
What are the key properties of 1-bromo-3-fluoro-2H-pyridine?
1-bromo-3-fluoro-2H-pyridine has a molecular weight of 178.00 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-2H-pyridine is sourced from PubChem (CID 87240328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).