1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol

C8H6F4N2O — CID 130964229

IUPAC1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol
SMILESOC1CN(c2c(F)c(F)nc(F)c2F)C1
InChIInChI=1S/C8H6F4N2O/c9-4-6(14-1-3(15)2-14)5(10)8(12)13-7(4)11/h3,15H,1-2H2
InChIKeyZBVKBZIOQFHJFF-UHFFFAOYSA-N
MW222.14 g/mol
LogP0.82
Rot. Bonds1

About 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol

1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol (PubChem CID 130964229) has the molecular formula C8H6F4N2O and a molecular weight of 222.14 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol
PubChem CID130964229
Molecular FormulaC8H6F4N2O
Molecular Weight222.14 g/mol
Exact Mass222.04
IUPAC Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol
SMILESOC1CN(c2c(F)c(F)nc(F)c2F)C1
InChIInChI=1S/C8H6F4N2O/c9-4-6(14-1-3(15)2-14)5(10)8(12)13-7(4)11/h3,15H,1-2H2
InChIKeyZBVKBZIOQFHJFF-UHFFFAOYSA-N
XLogP0.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine
CID 79905317
2,3,5,6-tetrafluoro-4-(3-methoxypyrrolidin-1-yl)pyridine
CID 103536626
2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 133338783
1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
CID 79905316
2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine
CID 102745010
1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol
CID 84584086
1-cyclohexyl-3-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]urea
CID 133371650
N-ethyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]methanesulfonamide
CID 133338886
2,3,5,6-tetrafluoro-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
CID 133371798
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65275177
1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol
CID 65419073

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol (CID 130964229) is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol is OC1CN(c2c(F)c(F)nc(F)c2F)C1.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol?
The InChIKey is ZBVKBZIOQFHJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O/c9-4-6(14-1-3(15)2-14)5(10)8(12)13-7(4)11/h3,15H,1-2H2.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol?
1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol has a molecular weight of 222.14 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol is sourced from PubChem (CID 130964229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).