2-fluoro-3-(4-methoxyoxan-4-yl)pyridine

C11H14FNO2 — CID 91315847

IUPAC2-fluoro-3-(4-methoxyoxan-4-yl)pyridine
SMILESCOC1(c2cccnc2F)CCOCC1
InChIInChI=1S/C11H14FNO2/c1-14-11(4-7-15-8-5-11)9-3-2-6-13-10(9)12/h2-3,6H,4-5,7-8H2,1H3
InChIKeyWWJJLMNETJVFDR-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.87
Rot. Bonds2

About 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine

2-fluoro-3-(4-methoxyoxan-4-yl)pyridine (PubChem CID 91315847) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(4-methoxyoxan-4-yl)pyridine
PubChem CID91315847
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-3-(4-methoxyoxan-4-yl)pyridine
SMILESCOC1(c2cccnc2F)CCOCC1
InChIInChI=1S/C11H14FNO2/c1-14-11(4-7-15-8-5-11)9-3-2-6-13-10(9)12/h2-3,6H,4-5,7-8H2,1H3
InChIKeyWWJJLMNETJVFDR-UHFFFAOYSA-N
XLogP1.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-(4-methoxyoxan-4-yl)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 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine?
The IUPAC name of 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine (CID 91315847) is 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine.
What is the SMILES notation for 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine?
The canonical SMILES for 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine is COC1(c2cccnc2F)CCOCC1.
What is the InChIKey of 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine?
The InChIKey is WWJJLMNETJVFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-14-11(4-7-15-8-5-11)9-3-2-6-13-10(9)12/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine?
2-fluoro-3-(4-methoxyoxan-4-yl)pyridine has a molecular weight of 211.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-methoxyoxan-4-yl)pyridine is sourced from PubChem (CID 91315847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).