5-fluoro-1-hydroxy-4-nitro-2H-pyridine

C5H5FN2O3 — CID 87717697

IUPAC5-fluoro-1-hydroxy-4-nitro-2H-pyridine
SMILESO=[N+]([O-])C1=CCN(O)C=C1F
InChIInChI=1S/C5H5FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1,3,9H,2H2
InChIKeyFZGRZMZPPJVRFP-UHFFFAOYSA-N
MW160.10 g/mol
LogP0.66
Rot. Bonds1

About 5-fluoro-1-hydroxy-4-nitro-2H-pyridine

5-fluoro-1-hydroxy-4-nitro-2H-pyridine (PubChem CID 87717697) has the molecular formula C5H5FN2O3 and a molecular weight of 160.10 g/mol. Its IUPAC name is 5-fluoro-1-hydroxy-4-nitro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-hydroxy-4-nitro-2H-pyridine
PubChem CID87717697
Molecular FormulaC5H5FN2O3
Molecular Weight160.10 g/mol
Exact Mass160.03
IUPAC Name5-fluoro-1-hydroxy-4-nitro-2H-pyridine
SMILESO=[N+]([O-])C1=CCN(O)C=C1F
InChIInChI=1S/C5H5FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1,3,9H,2H2
InChIKeyFZGRZMZPPJVRFP-UHFFFAOYSA-N
XLogP0.66
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 5-fluoro-1-hydroxy-4-nitro-2H-pyridine?
The IUPAC name of 5-fluoro-1-hydroxy-4-nitro-2H-pyridine (CID 87717697) is 5-fluoro-1-hydroxy-4-nitro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-hydroxy-4-nitro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-hydroxy-4-nitro-2H-pyridine is O=[N+]([O-])C1=CCN(O)C=C1F.
What is the InChIKey of 5-fluoro-1-hydroxy-4-nitro-2H-pyridine?
The InChIKey is FZGRZMZPPJVRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1,3,9H,2H2.
What are the key properties of 5-fluoro-1-hydroxy-4-nitro-2H-pyridine?
5-fluoro-1-hydroxy-4-nitro-2H-pyridine has a molecular weight of 160.10 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-hydroxy-4-nitro-2H-pyridine is sourced from PubChem (CID 87717697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).