3-iodo-2H-indazole-5-carboxylic acid

C8H5IN2O2 — CID 24728200

IUPAC3-iodo-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C8H5IN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKeyDYZNTIADYAHDQK-UHFFFAOYSA-N
MW288.04 g/mol
LogP1.87
Rot. Bonds1

About 3-iodo-2H-indazole-5-carboxylic acid

3-iodo-2H-indazole-5-carboxylic acid (PubChem CID 24728200) has the molecular formula C8H5IN2O2 and a molecular weight of 288.04 g/mol. Its IUPAC name is 3-iodo-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-iodo-2H-indazole-5-carboxylic acid
PubChem CID24728200
Molecular FormulaC8H5IN2O2
Molecular Weight288.04 g/mol
Exact Mass287.94
IUPAC Name3-iodo-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C8H5IN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKeyDYZNTIADYAHDQK-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
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-indazole-5-carboxylic acid?
The IUPAC name of 3-iodo-2H-indazole-5-carboxylic acid (CID 24728200) is 3-iodo-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-iodo-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-iodo-2H-indazole-5-carboxylic acid is O=C(O)c1ccc2n[nH]c(I)c2c1.
What is the InChIKey of 3-iodo-2H-indazole-5-carboxylic acid?
The InChIKey is DYZNTIADYAHDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 3-iodo-2H-indazole-5-carboxylic acid?
3-iodo-2H-indazole-5-carboxylic acid has a molecular weight of 288.04 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 24728200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).