5-fluoro-1-oxidoquinolin-1-ium

C9H6FNO — CID 66982928

IUPAC5-fluoro-1-oxidoquinolin-1-ium
SMILES[O-][n+]1cccc2c(F)cccc21
InChIInChI=1S/C9H6FNO/c10-8-4-1-5-9-7(8)3-2-6-11(9)12/h1-6H
InChIKeyQGUIKEUQVHGECR-UHFFFAOYSA-N
MW163.15 g/mol
LogP1.61
Rot. Bonds

About 5-fluoro-1-oxidoquinolin-1-ium

5-fluoro-1-oxidoquinolin-1-ium (PubChem CID 66982928) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 5-fluoro-1-oxidoquinolin-1-ium.

Molecular Properties

Compound Name5-fluoro-1-oxidoquinolin-1-ium
PubChem CID66982928
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name5-fluoro-1-oxidoquinolin-1-ium
SMILES[O-][n+]1cccc2c(F)cccc21
InChIInChI=1S/C9H6FNO/c10-8-4-1-5-9-7(8)3-2-6-11(9)12/h1-6H
InChIKeyQGUIKEUQVHGECR-UHFFFAOYSA-N
XLogP1.61
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-oxidoquinolin-1-ium?
The IUPAC name of 5-fluoro-1-oxidoquinolin-1-ium (CID 66982928) is 5-fluoro-1-oxidoquinolin-1-ium.
What is the SMILES notation for 5-fluoro-1-oxidoquinolin-1-ium?
The canonical SMILES for 5-fluoro-1-oxidoquinolin-1-ium is [O-][n+]1cccc2c(F)cccc21.
What is the InChIKey of 5-fluoro-1-oxidoquinolin-1-ium?
The InChIKey is QGUIKEUQVHGECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c10-8-4-1-5-9-7(8)3-2-6-11(9)12/h1-6H.
What are the key properties of 5-fluoro-1-oxidoquinolin-1-ium?
5-fluoro-1-oxidoquinolin-1-ium has a molecular weight of 163.15 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-oxidoquinolin-1-ium is sourced from PubChem (CID 66982928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).