3,6-difluoro-2-methoxypyridine

C6H5F2NO — CID 66936867

IUPAC3,6-difluoro-2-methoxypyridine
SMILESCOc1nc(F)ccc1F
InChIInChI=1S/C6H5F2NO/c1-10-6-4(7)2-3-5(8)9-6/h2-3H,1H3
InChIKeyPDETXUKXCGKHKX-UHFFFAOYSA-N
MW145.11 g/mol
LogP1.37
Rot. Bonds1

About 3,6-difluoro-2-methoxypyridine

3,6-difluoro-2-methoxypyridine (PubChem CID 66936867) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is 3,6-difluoro-2-methoxypyridine.

Molecular Properties

Compound Name3,6-difluoro-2-methoxypyridine
PubChem CID66936867
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name3,6-difluoro-2-methoxypyridine
SMILESCOc1nc(F)ccc1F
InChIInChI=1S/C6H5F2NO/c1-10-6-4(7)2-3-5(8)9-6/h2-3H,1H3
InChIKeyPDETXUKXCGKHKX-UHFFFAOYSA-N
XLogP1.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-difluoro-2-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 3,6-difluoro-2-methoxypyridine?
The IUPAC name of 3,6-difluoro-2-methoxypyridine (CID 66936867) is 3,6-difluoro-2-methoxypyridine.
What is the SMILES notation for 3,6-difluoro-2-methoxypyridine?
The canonical SMILES for 3,6-difluoro-2-methoxypyridine is COc1nc(F)ccc1F.
What is the InChIKey of 3,6-difluoro-2-methoxypyridine?
The InChIKey is PDETXUKXCGKHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c1-10-6-4(7)2-3-5(8)9-6/h2-3H,1H3.
What are the key properties of 3,6-difluoro-2-methoxypyridine?
3,6-difluoro-2-methoxypyridine has a molecular weight of 145.11 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-2-methoxypyridine is sourced from PubChem (CID 66936867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).