3-(difluoromethoxy)-2-fluoropyridine

C6H4F3NO — CID 74892042

IUPAC3-(difluoromethoxy)-2-fluoropyridine
SMILESFc1ncccc1OC(F)F
InChIInChI=1S/C6H4F3NO/c7-5-4(11-6(8)9)2-1-3-10-5/h1-3,6H
InChIKeyOQYGGZDBOLILOK-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.82
Rot. Bonds2

About 3-(difluoromethoxy)-2-fluoropyridine

3-(difluoromethoxy)-2-fluoropyridine (PubChem CID 74892042) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-fluoropyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-fluoropyridine
PubChem CID74892042
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name3-(difluoromethoxy)-2-fluoropyridine
SMILESFc1ncccc1OC(F)F
InChIInChI=1S/C6H4F3NO/c7-5-4(11-6(8)9)2-1-3-10-5/h1-3,6H
InChIKeyOQYGGZDBOLILOK-UHFFFAOYSA-N
XLogP1.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.82
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

3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-fluoropyridine
CID 133429240
3-ethoxy-2-fluoropyridine
CID 11355527
3-(difluoromethoxy)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 131618120
2-fluoro-3-[(2-methylpropan-2-yl)oxy]pyridine
CID 138743961
ethane;3-ethoxy-2-fluoropyridine
CID 144753234
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
dimethyl 2-[3-(difluoromethoxy)-2-pyridinyl]propanedioate
CID 155210458
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
3-[3-(difluoromethoxy)-2-pyridinyl]propanoic acid
CID 175050735
3-(1-fluoroethoxy)-2-methoxypyridine
CID 131995138
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
1-[3-(difluoromethoxy)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 171833069

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-fluoropyridine?
The IUPAC name of 3-(difluoromethoxy)-2-fluoropyridine (CID 74892042) is 3-(difluoromethoxy)-2-fluoropyridine.
What is the SMILES notation for 3-(difluoromethoxy)-2-fluoropyridine?
The canonical SMILES for 3-(difluoromethoxy)-2-fluoropyridine is Fc1ncccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-2-fluoropyridine?
The InChIKey is OQYGGZDBOLILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-5-4(11-6(8)9)2-1-3-10-5/h1-3,6H.
What are the key properties of 3-(difluoromethoxy)-2-fluoropyridine?
3-(difluoromethoxy)-2-fluoropyridine has a molecular weight of 163.10 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-fluoropyridine is sourced from PubChem (CID 74892042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).