1-iodo-2H-indazol-3-one

C7H5IN2O — CID 70918362

IUPAC1-iodo-2H-indazol-3-one
SMILESO=c1[nH]n(I)c2ccccc12
InChIInChI=1S/C7H5IN2O/c8-10-6-4-2-1-3-5(6)7(11)9-10/h1-4H,(H,9,11)
InChIKeyJKYPVHUHBJBQCE-UHFFFAOYSA-N
MW260.03 g/mol
LogP1.53
Rot. Bonds

About 1-iodo-2H-indazol-3-one

1-iodo-2H-indazol-3-one (PubChem CID 70918362) has the molecular formula C7H5IN2O and a molecular weight of 260.03 g/mol. Its IUPAC name is 1-iodo-2H-indazol-3-one.

Molecular Properties

Compound Name1-iodo-2H-indazol-3-one
PubChem CID70918362
Molecular FormulaC7H5IN2O
Molecular Weight260.03 g/mol
Exact Mass259.94
IUPAC Name1-iodo-2H-indazol-3-one
SMILESO=c1[nH]n(I)c2ccccc12
InChIInChI=1S/C7H5IN2O/c8-10-6-4-2-1-3-5(6)7(11)9-10/h1-4H,(H,9,11)
InChIKeyJKYPVHUHBJBQCE-UHFFFAOYSA-N
XLogP1.53
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.03
LogP ≤ 51.53
H-Bond Donors ≤ 51
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 1-iodo-2H-indazol-3-one?
The IUPAC name of 1-iodo-2H-indazol-3-one (CID 70918362) is 1-iodo-2H-indazol-3-one.
What is the SMILES notation for 1-iodo-2H-indazol-3-one?
The canonical SMILES for 1-iodo-2H-indazol-3-one is O=c1[nH]n(I)c2ccccc12.
What is the InChIKey of 1-iodo-2H-indazol-3-one?
The InChIKey is JKYPVHUHBJBQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O/c8-10-6-4-2-1-3-5(6)7(11)9-10/h1-4H,(H,9,11).
What are the key properties of 1-iodo-2H-indazol-3-one?
1-iodo-2H-indazol-3-one has a molecular weight of 260.03 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2H-indazol-3-one is sourced from PubChem (CID 70918362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).