8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol

C13H11FNO+ — CID 166448619

IUPAC8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol
SMILESCC1(O)c2cc(F)ccc2-c2cccc[n+]21
InChIInChI=1S/C13H11FNO/c1-13(16)11-8-9(14)5-6-10(11)12-4-2-3-7-15(12)13/h2-8,16H,1H3/q+1
InChIKeyONLUCNOQRLJLAB-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.81
Rot. Bonds

About 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol

8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol (PubChem CID 166448619) has the molecular formula C13H11FNO+ and a molecular weight of 216.24 g/mol. Its IUPAC name is 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol.

Molecular Properties

Compound Name8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol
PubChem CID166448619
Molecular FormulaC13H11FNO+
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol
SMILESCC1(O)c2cc(F)ccc2-c2cccc[n+]21
InChIInChI=1S/C13H11FNO/c1-13(16)11-8-9(14)5-6-10(11)12-4-2-3-7-15(12)13/h2-8,16H,1H3/q+1
InChIKeyONLUCNOQRLJLAB-UHFFFAOYSA-N
XLogP1.81
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol?
The IUPAC name of 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol (CID 166448619) is 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol.
What is the SMILES notation for 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol?
The canonical SMILES for 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol is CC1(O)c2cc(F)ccc2-c2cccc[n+]21.
What is the InChIKey of 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol?
The InChIKey is ONLUCNOQRLJLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FNO/c1-13(16)11-8-9(14)5-6-10(11)12-4-2-3-7-15(12)13/h2-8,16H,1H3/q+1.
What are the key properties of 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol?
8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol has a molecular weight of 216.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methylpyrido[1,2-b]isoindol-5-ium-6-ol is sourced from PubChem (CID 166448619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).