2-fluoro-3-methoxypyridine

C6H6FNO — CID 45079809

IUPAC2-fluoro-3-methoxypyridine
SMILESCOc1cccnc1F
InChIInChI=1S/C6H6FNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKeyYXYUTIBARPJYBX-UHFFFAOYSA-N
MW127.12 g/mol
LogP1.23
Rot. Bonds1

About 2-fluoro-3-methoxypyridine

2-fluoro-3-methoxypyridine (PubChem CID 45079809) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is 2-fluoro-3-methoxypyridine.

Molecular Properties

Compound Name2-fluoro-3-methoxypyridine
PubChem CID45079809
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name2-fluoro-3-methoxypyridine
SMILESCOc1cccnc1F
InChIInChI=1S/C6H6FNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKeyYXYUTIBARPJYBX-UHFFFAOYSA-N
XLogP1.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-methoxypyridine 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-methoxypyridine?
The IUPAC name of 2-fluoro-3-methoxypyridine (CID 45079809) is 2-fluoro-3-methoxypyridine.
What is the SMILES notation for 2-fluoro-3-methoxypyridine?
The canonical SMILES for 2-fluoro-3-methoxypyridine is COc1cccnc1F.
What is the InChIKey of 2-fluoro-3-methoxypyridine?
The InChIKey is YXYUTIBARPJYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3.
What are the key properties of 2-fluoro-3-methoxypyridine?
2-fluoro-3-methoxypyridine has a molecular weight of 127.12 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxypyridine is sourced from PubChem (CID 45079809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).