6-nitro-1H-indazole-3-carboxylic acid

C8H5N3O4 — CID 23118859

IUPAC6-nitro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C8H5N3O4/c12-8(13)7-5-2-1-4(11(14)15)3-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
InChIKeyAZQFFHKDZNETBK-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.17
Rot. Bonds2

About 6-nitro-1H-indazole-3-carboxylic acid

6-nitro-1H-indazole-3-carboxylic acid (PubChem CID 23118859) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 6-nitro-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-nitro-1H-indazole-3-carboxylic acid
PubChem CID23118859
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name6-nitro-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C8H5N3O4/c12-8(13)7-5-2-1-4(11(14)15)3-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
InChIKeyAZQFFHKDZNETBK-UHFFFAOYSA-N
XLogP1.17
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-nitro-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-nitro-1H-indazole-3-carboxylic acid (CID 23118859) is 6-nitro-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-nitro-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-nitro-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 6-nitro-1H-indazole-3-carboxylic acid?
The InChIKey is AZQFFHKDZNETBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-8(13)7-5-2-1-4(11(14)15)3-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13).
What are the key properties of 6-nitro-1H-indazole-3-carboxylic acid?
6-nitro-1H-indazole-3-carboxylic acid has a molecular weight of 207.15 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 23118859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).