4-bromo-2-fluoropyridine

C5H3BrFN — CID 2762851

IUPAC4-bromo-2-fluoropyridine
SMILESFc1cc(Br)ccn1
InChIInChI=1S/C5H3BrFN/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKeyPTPTZLXZHPPVKG-UHFFFAOYSA-N
MW175.99 g/mol
LogP1.98
Rot. Bonds

About 4-bromo-2-fluoropyridine

4-bromo-2-fluoropyridine (PubChem CID 2762851) has the molecular formula C5H3BrFN and a molecular weight of 175.99 g/mol. Its IUPAC name is 4-bromo-2-fluoropyridine.

Molecular Properties

Compound Name4-bromo-2-fluoropyridine
PubChem CID2762851
Molecular FormulaC5H3BrFN
Molecular Weight175.99 g/mol
Exact Mass174.94
IUPAC Name4-bromo-2-fluoropyridine
SMILESFc1cc(Br)ccn1
InChIInChI=1S/C5H3BrFN/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKeyPTPTZLXZHPPVKG-UHFFFAOYSA-N
XLogP1.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.99
LogP ≤ 51.98
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 4-bromo-2-fluoropyridine?
The IUPAC name of 4-bromo-2-fluoropyridine (CID 2762851) is 4-bromo-2-fluoropyridine.
What is the SMILES notation for 4-bromo-2-fluoropyridine?
The canonical SMILES for 4-bromo-2-fluoropyridine is Fc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-fluoropyridine?
The InChIKey is PTPTZLXZHPPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFN/c6-4-1-2-8-5(7)3-4/h1-3H.
What are the key properties of 4-bromo-2-fluoropyridine?
4-bromo-2-fluoropyridine has a molecular weight of 175.99 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 4-bromo-2-fluoropyridine is sourced from PubChem (CID 2762851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).