5-(difluoromethoxy)-2,3-difluoropyridine

C6H3F4NO — CID 130925292

IUPAC5-(difluoromethoxy)-2,3-difluoropyridine
SMILESFc1cc(OC(F)F)cnc1F
InChIInChI=1S/C6H3F4NO/c7-4-1-3(12-6(9)10)2-11-5(4)8/h1-2,6H
InChIKeyIZIPRBUIZJHMPX-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.96
Rot. Bonds2

About 5-(difluoromethoxy)-2,3-difluoropyridine

5-(difluoromethoxy)-2,3-difluoropyridine (PubChem CID 130925292) has the molecular formula C6H3F4NO and a molecular weight of 181.09 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2,3-difluoropyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2,3-difluoropyridine
PubChem CID130925292
Molecular FormulaC6H3F4NO
Molecular Weight181.09 g/mol
Exact Mass181.02
IUPAC Name5-(difluoromethoxy)-2,3-difluoropyridine
SMILESFc1cc(OC(F)F)cnc1F
InChIInChI=1S/C6H3F4NO/c7-4-1-3(12-6(9)10)2-11-5(4)8/h1-2,6H
InChIKeyIZIPRBUIZJHMPX-UHFFFAOYSA-N
XLogP1.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.96
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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Related Compounds

1-[5-(difluoromethoxy)-3-fluoro-2-pyridinyl]ethanone
CID 178156503
5-(difluoromethoxy)-2,3-dimethylpyridine
CID 130882921
5-(difluoromethoxy)-3-methyl-2-methylsulfanylpyridine
CID 68857309
5-cyclopropyloxy-2,3-difluoropyridine
CID 130057394
5-(difluoromethoxy)pyrimidin-2-amine
CID 139417201
5-(difluoromethoxy)-2-iodo-3-methylpyridine
CID 172531797
2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
CID 119008832
4-(difluoromethoxy)-2,6-difluorobenzonitrile
CID 53417928
5-(difluoromethoxy)-2-propan-2-ylpyrimidine;ethane
CID 169118529
2-tert-butyl-5-(difluoromethoxy)pyrimidine
CID 58088060
5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine
CID 68858921
3-(difluoromethoxy)-5-[(3,4,5-trifluorophenyl)methyl]pyridine
CID 175294384

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2,3-difluoropyridine?
The IUPAC name of 5-(difluoromethoxy)-2,3-difluoropyridine (CID 130925292) is 5-(difluoromethoxy)-2,3-difluoropyridine.
What is the SMILES notation for 5-(difluoromethoxy)-2,3-difluoropyridine?
The canonical SMILES for 5-(difluoromethoxy)-2,3-difluoropyridine is Fc1cc(OC(F)F)cnc1F.
What is the InChIKey of 5-(difluoromethoxy)-2,3-difluoropyridine?
The InChIKey is IZIPRBUIZJHMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO/c7-4-1-3(12-6(9)10)2-11-5(4)8/h1-2,6H.
What are the key properties of 5-(difluoromethoxy)-2,3-difluoropyridine?
5-(difluoromethoxy)-2,3-difluoropyridine has a molecular weight of 181.09 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2,3-difluoropyridine is sourced from PubChem (CID 130925292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).