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

C8H5N3O4 — CID 24728271

IUPAC4-nitro-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])c2cn[nH]c2c1
InChIInChI=1S/C8H5N3O4/c12-8(13)4-1-6-5(3-9-10-6)7(2-4)11(14)15/h1-3H,(H,9,10)(H,12,13)
InChIKeyHIXTUKCZSXGARG-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.17
Rot. Bonds2

About 4-nitro-1H-indazole-6-carboxylic acid

4-nitro-1H-indazole-6-carboxylic acid (PubChem CID 24728271) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-nitro-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name4-nitro-1H-indazole-6-carboxylic acid
PubChem CID24728271
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name4-nitro-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])c2cn[nH]c2c1
InChIInChI=1S/C8H5N3O4/c12-8(13)4-1-6-5(3-9-10-6)7(2-4)11(14)15/h1-3H,(H,9,10)(H,12,13)
InChIKeyHIXTUKCZSXGARG-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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Related Compounds

4-nitro-1H-indazole-6-carboxamide
CID 171066795
4-nitro-1H-indazole-6-carbohydrazide
CID 171066779
methyl 4-nitro-1H-indazole-6-carboxylate
CID 24728064
4-chloro-1H-indazole-6-carboxylic acid
CID 24728396
4-nitro-6-propan-2-yl-1H-indazole
CID 24729319
3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-nitrobenzoic acid
CID 167738502
7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid
CID 167454940
4-(methylamino)-3,5-dinitrobenzoic acid
CID 3533426
3-bromo-4-methoxy-5-nitrobenzoic acid;ethane
CID 166130561
2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
CID 122150956
3-chloro-5-nitro-4-(trifluoromethoxy)benzoic acid
CID 121234311
6-nitro-1H-indazole-5-carbonitrile
CID 76846367

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1H-indazole-6-carboxylic acid?
The IUPAC name of 4-nitro-1H-indazole-6-carboxylic acid (CID 24728271) is 4-nitro-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 4-nitro-1H-indazole-6-carboxylic acid?
The canonical SMILES for 4-nitro-1H-indazole-6-carboxylic acid is O=C(O)c1cc([N+](=O)[O-])c2cn[nH]c2c1.
What is the InChIKey of 4-nitro-1H-indazole-6-carboxylic acid?
The InChIKey is HIXTUKCZSXGARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-8(13)4-1-6-5(3-9-10-6)7(2-4)11(14)15/h1-3H,(H,9,10)(H,12,13).
What are the key properties of 4-nitro-1H-indazole-6-carboxylic acid?
4-nitro-1H-indazole-6-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 4-nitro-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 24728271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).