5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole

C8H10FIN2O — CID 130296935

IUPAC5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole
SMILESFc1cc(I)nn1C1CCCCO1
InChIInChI=1S/C8H10FIN2O/c9-6-5-7(10)11-12(6)8-3-1-2-4-13-8/h5,8H,1-4H2
InChIKeyJPYPVIKPPFIPHR-UHFFFAOYSA-N
MW296.08 g/mol
LogP2.33
Rot. Bonds1

About 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole

5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole (PubChem CID 130296935) has the molecular formula C8H10FIN2O and a molecular weight of 296.08 g/mol. Its IUPAC name is 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole
PubChem CID130296935
Molecular FormulaC8H10FIN2O
Molecular Weight296.08 g/mol
Exact Mass295.98
IUPAC Name5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole
SMILESFc1cc(I)nn1C1CCCCO1
InChIInChI=1S/C8H10FIN2O/c9-6-5-7(10)11-12(6)8-3-1-2-4-13-8/h5,8H,1-4H2
InChIKeyJPYPVIKPPFIPHR-UHFFFAOYSA-N
XLogP2.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 130296977
3-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 149483062
3,5-Difluoro-1-(oxan-3-yl)pyrazole
CID 175564184
5-Iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 54759103
3-Iodo-1-(oxan-2-yl)pyrazole
CID 70699588
3,5-Dibromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
CID 130116507
5-Chloro-3-iodo-1-(oxan-2-yl)pyrazole
CID 175462143
5-Bromo-3-iodo-1-(oxan-2-yl)pyrazole
CID 175468670
5-iodo-1-[(2S)-oxan-2-yl]pyrazole
CID 86330472
5-iodo-1-[(2R)-oxan-2-yl]pyrazole
CID 86330473
3-iodo-1-[(2S)-oxan-2-yl]pyrazole
CID 97041558
3-iodo-1-[(2R)-oxan-2-yl]pyrazole
CID 97041559

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole?
The IUPAC name of 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole (CID 130296935) is 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole is Fc1cc(I)nn1C1CCCCO1.
What is the InChIKey of 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole?
The InChIKey is JPYPVIKPPFIPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FIN2O/c9-6-5-7(10)11-12(6)8-3-1-2-4-13-8/h5,8H,1-4H2.
What are the key properties of 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole?
5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole has a molecular weight of 296.08 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 130296935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).