4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol

C12H12FIN2O2 — CID 169101675

IUPAC4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol
SMILESOc1ccc2c(c(I)nn2C2CCCCO2)c1F
InChIInChI=1S/C12H12FIN2O2/c13-11-8(17)5-4-7-10(11)12(14)15-16(7)9-3-1-2-6-18-9/h4-5,9,17H,1-3,6H2
InChIKeyXRZGTHUAVYRCDL-UHFFFAOYSA-N
MW362.14 g/mol
LogP3.18
Rot. Bonds1

About 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol

4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol (PubChem CID 169101675) has the molecular formula C12H12FIN2O2 and a molecular weight of 362.14 g/mol. Its IUPAC name is 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol.

Molecular Properties

Compound Name4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol
PubChem CID169101675
Molecular FormulaC12H12FIN2O2
Molecular Weight362.14 g/mol
Exact Mass361.99
IUPAC Name4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol
SMILESOc1ccc2c(c(I)nn2C2CCCCO2)c1F
InChIInChI=1S/C12H12FIN2O2/c13-11-8(17)5-4-7-10(11)12(14)15-16(7)9-3-1-2-6-18-9/h4-5,9,17H,1-3,6H2
InChIKeyXRZGTHUAVYRCDL-UHFFFAOYSA-N
XLogP3.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol?
The IUPAC name of 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol (CID 169101675) is 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol.
What is the SMILES notation for 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol?
The canonical SMILES for 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol is Oc1ccc2c(c(I)nn2C2CCCCO2)c1F.
What is the InChIKey of 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol?
The InChIKey is XRZGTHUAVYRCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FIN2O2/c13-11-8(17)5-4-7-10(11)12(14)15-16(7)9-3-1-2-6-18-9/h4-5,9,17H,1-3,6H2.
What are the key properties of 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol?
4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol has a molecular weight of 362.14 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol is sourced from PubChem (CID 169101675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).