6,8-difluoro-1-hydroxyquinolin-5-imine

C9H6F2N2O — CID 70439420

IUPAC6,8-difluoro-1-hydroxyquinolin-5-imine
SMILES[H]/N=c1\c(F)cc(F)c2n(O)cccc1-2
InChIInChI=1S/C9H6F2N2O/c10-6-4-7(11)9-5(8(6)12)2-1-3-13(9)14/h1-4,12,14H/b12-8-
InChIKeyRPKVNMBLZSWCRT-WQLSENKSSA-N
MW196.16 g/mol
LogP1.59
Rot. Bonds

About 6,8-difluoro-1-hydroxyquinolin-5-imine

6,8-difluoro-1-hydroxyquinolin-5-imine (PubChem CID 70439420) has the molecular formula C9H6F2N2O and a molecular weight of 196.16 g/mol. Its IUPAC name is 6,8-difluoro-1-hydroxyquinolin-5-imine.

Molecular Properties

Compound Name6,8-difluoro-1-hydroxyquinolin-5-imine
PubChem CID70439420
Molecular FormulaC9H6F2N2O
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name6,8-difluoro-1-hydroxyquinolin-5-imine
SMILES[H]/N=c1\c(F)cc(F)c2n(O)cccc1-2
InChIInChI=1S/C9H6F2N2O/c10-6-4-7(11)9-5(8(6)12)2-1-3-13(9)14/h1-4,12,14H/b12-8-
InChIKeyRPKVNMBLZSWCRT-WQLSENKSSA-N
XLogP1.59
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.59
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 6,8-difluoro-1-hydroxyquinolin-5-imine?
The IUPAC name of 6,8-difluoro-1-hydroxyquinolin-5-imine (CID 70439420) is 6,8-difluoro-1-hydroxyquinolin-5-imine.
What is the SMILES notation for 6,8-difluoro-1-hydroxyquinolin-5-imine?
The canonical SMILES for 6,8-difluoro-1-hydroxyquinolin-5-imine is [H]/N=c1\c(F)cc(F)c2n(O)cccc1-2.
What is the InChIKey of 6,8-difluoro-1-hydroxyquinolin-5-imine?
The InChIKey is RPKVNMBLZSWCRT-WQLSENKSSA-N. The full InChI is InChI=1S/C9H6F2N2O/c10-6-4-7(11)9-5(8(6)12)2-1-3-13(9)14/h1-4,12,14H/b12-8-.
What are the key properties of 6,8-difluoro-1-hydroxyquinolin-5-imine?
6,8-difluoro-1-hydroxyquinolin-5-imine has a molecular weight of 196.16 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1-hydroxyquinolin-5-imine is sourced from PubChem (CID 70439420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).