5-fluoro-3,7-dimethylfuro[3,2-b]pyridine

C9H8FNO — CID 170585039

IUPAC5-fluoro-3,7-dimethylfuro[3,2-b]pyridine
SMILESCc1coc2c(C)cc(F)nc12
InChIInChI=1S/C9H8FNO/c1-5-3-7(10)11-8-6(2)4-12-9(5)8/h3-4H,1-2H3
InChIKeyDYFVFEIFNMXCPM-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.58
Rot. Bonds

About 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine

5-fluoro-3,7-dimethylfuro[3,2-b]pyridine (PubChem CID 170585039) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name5-fluoro-3,7-dimethylfuro[3,2-b]pyridine
PubChem CID170585039
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name5-fluoro-3,7-dimethylfuro[3,2-b]pyridine
SMILESCc1coc2c(C)cc(F)nc12
InChIInChI=1S/C9H8FNO/c1-5-3-7(10)11-8-6(2)4-12-9(5)8/h3-4H,1-2H3
InChIKeyDYFVFEIFNMXCPM-UHFFFAOYSA-N
XLogP2.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine 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 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine?
The IUPAC name of 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine (CID 170585039) is 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine.
What is the SMILES notation for 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine?
The canonical SMILES for 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine is Cc1coc2c(C)cc(F)nc12.
What is the InChIKey of 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine?
The InChIKey is DYFVFEIFNMXCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-5-3-7(10)11-8-6(2)4-12-9(5)8/h3-4H,1-2H3.
What are the key properties of 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine?
5-fluoro-3,7-dimethylfuro[3,2-b]pyridine has a molecular weight of 165.17 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,7-dimethylfuro[3,2-b]pyridine is sourced from PubChem (CID 170585039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).