3-iodo-2H-indazol-5-ol

C7H5IN2O — CID 24728255

IUPAC3-iodo-2H-indazol-5-ol
SMILESOc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H5IN2O/c8-7-5-3-4(11)1-2-6(5)9-10-7/h1-3,11H,(H,9,10)
InChIKeyVVYKAQOZDUWBOD-UHFFFAOYSA-N
MW260.03 g/mol
LogP1.87
Rot. Bonds

About 3-iodo-2H-indazol-5-ol

3-iodo-2H-indazol-5-ol (PubChem CID 24728255) has the molecular formula C7H5IN2O and a molecular weight of 260.03 g/mol. Its IUPAC name is 3-iodo-2H-indazol-5-ol.

Molecular Properties

Compound Name3-iodo-2H-indazol-5-ol
PubChem CID24728255
Molecular FormulaC7H5IN2O
Molecular Weight260.03 g/mol
Exact Mass259.94
IUPAC Name3-iodo-2H-indazol-5-ol
SMILESOc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C7H5IN2O/c8-7-5-3-4(11)1-2-6(5)9-10-7/h1-3,11H,(H,9,10)
InChIKeyVVYKAQOZDUWBOD-UHFFFAOYSA-N
XLogP1.87
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.03
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2H-indazol-5-ol?
The IUPAC name of 3-iodo-2H-indazol-5-ol (CID 24728255) is 3-iodo-2H-indazol-5-ol.
What is the SMILES notation for 3-iodo-2H-indazol-5-ol?
The canonical SMILES for 3-iodo-2H-indazol-5-ol is Oc1ccc2n[nH]c(I)c2c1.
What is the InChIKey of 3-iodo-2H-indazol-5-ol?
The InChIKey is VVYKAQOZDUWBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O/c8-7-5-3-4(11)1-2-6(5)9-10-7/h1-3,11H,(H,9,10).
What are the key properties of 3-iodo-2H-indazol-5-ol?
3-iodo-2H-indazol-5-ol has a molecular weight of 260.03 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2H-indazol-5-ol is sourced from PubChem (CID 24728255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).