8-fluoro-1-hydroxyquinolin-5-imine

C9H7FN2O — CID 66969644

IUPAC8-fluoro-1-hydroxyquinolin-5-imine
SMILES[H]/N=c1\ccc(F)c2n(O)cccc1-2
InChIInChI=1S/C9H7FN2O/c10-7-3-4-8(11)6-2-1-5-12(13)9(6)7/h1-5,11,13H/b11-8+
InChIKeyRBWZFVOPTNCFHJ-DHZHZOJOSA-N
MW178.17 g/mol
LogP1.45
Rot. Bonds

About 8-fluoro-1-hydroxyquinolin-5-imine

8-fluoro-1-hydroxyquinolin-5-imine (PubChem CID 66969644) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 8-fluoro-1-hydroxyquinolin-5-imine.

Molecular Properties

Compound Name8-fluoro-1-hydroxyquinolin-5-imine
PubChem CID66969644
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name8-fluoro-1-hydroxyquinolin-5-imine
SMILES[H]/N=c1\ccc(F)c2n(O)cccc1-2
InChIInChI=1S/C9H7FN2O/c10-7-3-4-8(11)6-2-1-5-12(13)9(6)7/h1-5,11,13H/b11-8+
InChIKeyRBWZFVOPTNCFHJ-DHZHZOJOSA-N
XLogP1.45
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-hydroxyquinolin-5-imine?
The IUPAC name of 8-fluoro-1-hydroxyquinolin-5-imine (CID 66969644) is 8-fluoro-1-hydroxyquinolin-5-imine.
What is the SMILES notation for 8-fluoro-1-hydroxyquinolin-5-imine?
The canonical SMILES for 8-fluoro-1-hydroxyquinolin-5-imine is [H]/N=c1\ccc(F)c2n(O)cccc1-2.
What is the InChIKey of 8-fluoro-1-hydroxyquinolin-5-imine?
The InChIKey is RBWZFVOPTNCFHJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-7-3-4-8(11)6-2-1-5-12(13)9(6)7/h1-5,11,13H/b11-8+.
What are the key properties of 8-fluoro-1-hydroxyquinolin-5-imine?
8-fluoro-1-hydroxyquinolin-5-imine has a molecular weight of 178.17 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-hydroxyquinolin-5-imine is sourced from PubChem (CID 66969644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).