3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid

C9H7N3O3 — CID 155646496

IUPAC3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]c(/C=N/O)c2c1
InChIInChI=1S/C9H7N3O3/c13-9(14)5-1-2-7-6(3-5)8(4-10-15)12-11-7/h1-4,15H,(H,11,12)(H,13,14)/b10-4+
InChIKeyGTBKDCVKXSKYDM-ONNFQVAWSA-N
MW205.17 g/mol
LogP1.07
Rot. Bonds2

About 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid

3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid (PubChem CID 155646496) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid
PubChem CID155646496
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]c(/C=N/O)c2c1
InChIInChI=1S/C9H7N3O3/c13-9(14)5-1-2-7-6(3-5)8(4-10-15)12-11-7/h1-4,15H,(H,11,12)(H,13,14)/b10-4+
InChIKeyGTBKDCVKXSKYDM-ONNFQVAWSA-N
XLogP1.07
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid (CID 155646496) is 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid is O=C(O)c1ccc2n[nH]c(/C=N/O)c2c1.
What is the InChIKey of 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid?
The InChIKey is GTBKDCVKXSKYDM-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-9(14)5-1-2-7-6(3-5)8(4-10-15)12-11-7/h1-4,15H,(H,11,12)(H,13,14)/b10-4+.
What are the key properties of 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid?
3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 155646496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).