2,6-difluoro-3-methoxypyridine

C6H5F2NO — CID 23566571

IUPAC2,6-difluoro-3-methoxypyridine
SMILESCOc1ccc(F)nc1F
InChIInChI=1S/C6H5F2NO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3
InChIKeyZKTCDPIQFOECKX-UHFFFAOYSA-N
MW145.11 g/mol
LogP1.37
Rot. Bonds1

About 2,6-difluoro-3-methoxypyridine

2,6-difluoro-3-methoxypyridine (PubChem CID 23566571) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is 2,6-difluoro-3-methoxypyridine.

Molecular Properties

Compound Name2,6-difluoro-3-methoxypyridine
PubChem CID23566571
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name2,6-difluoro-3-methoxypyridine
SMILESCOc1ccc(F)nc1F
InChIInChI=1S/C6H5F2NO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3
InChIKeyZKTCDPIQFOECKX-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methoxypyridine?
The IUPAC name of 2,6-difluoro-3-methoxypyridine (CID 23566571) is 2,6-difluoro-3-methoxypyridine.
What is the SMILES notation for 2,6-difluoro-3-methoxypyridine?
The canonical SMILES for 2,6-difluoro-3-methoxypyridine is COc1ccc(F)nc1F.
What is the InChIKey of 2,6-difluoro-3-methoxypyridine?
The InChIKey is ZKTCDPIQFOECKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3.
What are the key properties of 2,6-difluoro-3-methoxypyridine?
2,6-difluoro-3-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 2,6-difluoro-3-methoxypyridine is sourced from PubChem (CID 23566571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).