2-fluoro-5-nitropyridin-3-ol

C5H3FN2O3 — CID 130057663

IUPAC2-fluoro-5-nitropyridin-3-ol
SMILESO=[N+]([O-])c1cnc(F)c(O)c1
InChIInChI=1S/C5H3FN2O3/c6-5-4(9)1-3(2-7-5)8(10)11/h1-2,9H
InChIKeyKEFXSZKWFQUWIA-UHFFFAOYSA-N
MW158.09 g/mol
LogP0.83
Rot. Bonds1

About 2-fluoro-5-nitropyridin-3-ol

2-fluoro-5-nitropyridin-3-ol (PubChem CID 130057663) has the molecular formula C5H3FN2O3 and a molecular weight of 158.09 g/mol. Its IUPAC name is 2-fluoro-5-nitropyridin-3-ol.

Molecular Properties

Compound Name2-fluoro-5-nitropyridin-3-ol
PubChem CID130057663
Molecular FormulaC5H3FN2O3
Molecular Weight158.09 g/mol
Exact Mass158.01
IUPAC Name2-fluoro-5-nitropyridin-3-ol
SMILESO=[N+]([O-])c1cnc(F)c(O)c1
InChIInChI=1S/C5H3FN2O3/c6-5-4(9)1-3(2-7-5)8(10)11/h1-2,9H
InChIKeyKEFXSZKWFQUWIA-UHFFFAOYSA-N
XLogP0.83
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-fluoro-5-nitropyridin-3-ol?
The IUPAC name of 2-fluoro-5-nitropyridin-3-ol (CID 130057663) is 2-fluoro-5-nitropyridin-3-ol.
What is the SMILES notation for 2-fluoro-5-nitropyridin-3-ol?
The canonical SMILES for 2-fluoro-5-nitropyridin-3-ol is O=[N+]([O-])c1cnc(F)c(O)c1.
What is the InChIKey of 2-fluoro-5-nitropyridin-3-ol?
The InChIKey is KEFXSZKWFQUWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O3/c6-5-4(9)1-3(2-7-5)8(10)11/h1-2,9H.
What are the key properties of 2-fluoro-5-nitropyridin-3-ol?
2-fluoro-5-nitropyridin-3-ol has a molecular weight of 158.09 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitropyridin-3-ol is sourced from PubChem (CID 130057663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).