2-bromo-3-fluoro-6-iodopyridine

C5H2BrFIN — CID 119011490

IUPAC2-bromo-3-fluoro-6-iodopyridine
SMILESFc1ccc(I)nc1Br
InChIInChI=1S/C5H2BrFIN/c6-5-3(7)1-2-4(8)9-5/h1-2H
InChIKeyRBNCYSWPRFHTDW-UHFFFAOYSA-N
MW301.88 g/mol
LogP2.59
Rot. Bonds

About 2-bromo-3-fluoro-6-iodopyridine

2-bromo-3-fluoro-6-iodopyridine (PubChem CID 119011490) has the molecular formula C5H2BrFIN and a molecular weight of 301.88 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-iodopyridine.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-iodopyridine
PubChem CID119011490
Molecular FormulaC5H2BrFIN
Molecular Weight301.88 g/mol
Exact Mass300.84
IUPAC Name2-bromo-3-fluoro-6-iodopyridine
SMILESFc1ccc(I)nc1Br
InChIInChI=1S/C5H2BrFIN/c6-5-3(7)1-2-4(8)9-5/h1-2H
InChIKeyRBNCYSWPRFHTDW-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-iodopyridine?
The IUPAC name of 2-bromo-3-fluoro-6-iodopyridine (CID 119011490) is 2-bromo-3-fluoro-6-iodopyridine.
What is the SMILES notation for 2-bromo-3-fluoro-6-iodopyridine?
The canonical SMILES for 2-bromo-3-fluoro-6-iodopyridine is Fc1ccc(I)nc1Br.
What is the InChIKey of 2-bromo-3-fluoro-6-iodopyridine?
The InChIKey is RBNCYSWPRFHTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrFIN/c6-5-3(7)1-2-4(8)9-5/h1-2H.
What are the key properties of 2-bromo-3-fluoro-6-iodopyridine?
2-bromo-3-fluoro-6-iodopyridine has a molecular weight of 301.88 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-iodopyridine is sourced from PubChem (CID 119011490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).