6-bromo-2-fluoro-3-nitropyridine

C5H2BrFN2O2 — CID 119085951

IUPAC6-bromo-2-fluoro-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Br)nc1F
InChIInChI=1S/C5H2BrFN2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKeyQCRXKNCPLNMGMR-UHFFFAOYSA-N
MW220.99 g/mol
LogP1.89
Rot. Bonds1

About 6-bromo-2-fluoro-3-nitropyridine

6-bromo-2-fluoro-3-nitropyridine (PubChem CID 119085951) has the molecular formula C5H2BrFN2O2 and a molecular weight of 220.99 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-nitropyridine.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-nitropyridine
PubChem CID119085951
Molecular FormulaC5H2BrFN2O2
Molecular Weight220.99 g/mol
Exact Mass219.93
IUPAC Name6-bromo-2-fluoro-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Br)nc1F
InChIInChI=1S/C5H2BrFN2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKeyQCRXKNCPLNMGMR-UHFFFAOYSA-N
XLogP1.89
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.99
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-nitropyridine?
The IUPAC name of 6-bromo-2-fluoro-3-nitropyridine (CID 119085951) is 6-bromo-2-fluoro-3-nitropyridine.
What is the SMILES notation for 6-bromo-2-fluoro-3-nitropyridine?
The canonical SMILES for 6-bromo-2-fluoro-3-nitropyridine is O=[N+]([O-])c1ccc(Br)nc1F.
What is the InChIKey of 6-bromo-2-fluoro-3-nitropyridine?
The InChIKey is QCRXKNCPLNMGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrFN2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H.
What are the key properties of 6-bromo-2-fluoro-3-nitropyridine?
6-bromo-2-fluoro-3-nitropyridine has a molecular weight of 220.99 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-3-nitropyridine is sourced from PubChem (CID 119085951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).