7-iodo-1,2-dihydroindazol-3-one

C7H5IN2O — CID 121231706

IUPAC7-iodo-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2c(I)cccc12
InChIInChI=1S/C7H5IN2O/c8-5-3-1-2-4-6(5)9-10-7(4)11/h1-3H,(H2,9,10,11)
InChIKeyQAYTXTYPRYMZMP-UHFFFAOYSA-N
MW260.03 g/mol
LogP1.46
Rot. Bonds

About 7-iodo-1,2-dihydroindazol-3-one

7-iodo-1,2-dihydroindazol-3-one (PubChem CID 121231706) has the molecular formula C7H5IN2O and a molecular weight of 260.03 g/mol. Its IUPAC name is 7-iodo-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name7-iodo-1,2-dihydroindazol-3-one
PubChem CID121231706
Molecular FormulaC7H5IN2O
Molecular Weight260.03 g/mol
Exact Mass259.94
IUPAC Name7-iodo-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2c(I)cccc12
InChIInChI=1S/C7H5IN2O/c8-5-3-1-2-4-6(5)9-10-7(4)11/h1-3H,(H2,9,10,11)
InChIKeyQAYTXTYPRYMZMP-UHFFFAOYSA-N
XLogP1.46
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.03
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-1,2-dihydroindazol-3-one?
The IUPAC name of 7-iodo-1,2-dihydroindazol-3-one (CID 121231706) is 7-iodo-1,2-dihydroindazol-3-one.
What is the SMILES notation for 7-iodo-1,2-dihydroindazol-3-one?
The canonical SMILES for 7-iodo-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2c(I)cccc12.
What is the InChIKey of 7-iodo-1,2-dihydroindazol-3-one?
The InChIKey is QAYTXTYPRYMZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O/c8-5-3-1-2-4-6(5)9-10-7(4)11/h1-3H,(H2,9,10,11).
What are the key properties of 7-iodo-1,2-dihydroindazol-3-one?
7-iodo-1,2-dihydroindazol-3-one has a molecular weight of 260.03 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1,2-dihydroindazol-3-one is sourced from PubChem (CID 121231706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).