1H-indazole-3,4-dicarboxylic acid

C9H6N2O4 — CID 24728738

IUPAC1H-indazole-3,4-dicarboxylic acid
SMILESO=C(O)c1cccc2[nH]nc(C(=O)O)c12
InChIInChI=1S/C9H6N2O4/c12-8(13)4-2-1-3-5-6(4)7(9(14)15)11-10-5/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOURCZCQCVGCRTL-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.96
Rot. Bonds2

About 1H-indazole-3,4-dicarboxylic acid

1H-indazole-3,4-dicarboxylic acid (PubChem CID 24728738) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 1H-indazole-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1H-indazole-3,4-dicarboxylic acid
PubChem CID24728738
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name1H-indazole-3,4-dicarboxylic acid
SMILESO=C(O)c1cccc2[nH]nc(C(=O)O)c12
InChIInChI=1S/C9H6N2O4/c12-8(13)4-2-1-3-5-6(4)7(9(14)15)11-10-5/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOURCZCQCVGCRTL-UHFFFAOYSA-N
XLogP0.96
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
CID 67853661
5-chloro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 14532036
4-benzyl-1H-indazole-3-carboxylic acid
CID 67204607
5-fluoro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 21467007
3-thiophen-2-yl-1H-indazole-4-carboxylic acid
CID 39218203
4-pentyl-1H-indazole-3-carboxylic acid
CID 170458455
3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
CID 39218620
3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
CID 39220103
3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219293
ethenyl 4-acetyl-1H-indazole-3-carboxylate
CID 67480598
3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
CID 39220194
4-chloro-1H-indazole-3-carboxamide
CID 118798094

Frequently Asked Questions

What is the IUPAC name of 1H-indazole-3,4-dicarboxylic acid?
The IUPAC name of 1H-indazole-3,4-dicarboxylic acid (CID 24728738) is 1H-indazole-3,4-dicarboxylic acid.
What is the SMILES notation for 1H-indazole-3,4-dicarboxylic acid?
The canonical SMILES for 1H-indazole-3,4-dicarboxylic acid is O=C(O)c1cccc2[nH]nc(C(=O)O)c12.
What is the InChIKey of 1H-indazole-3,4-dicarboxylic acid?
The InChIKey is OURCZCQCVGCRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-8(13)4-2-1-3-5-6(4)7(9(14)15)11-10-5/h1-3H,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 1H-indazole-3,4-dicarboxylic acid?
1H-indazole-3,4-dicarboxylic acid has a molecular weight of 206.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-3,4-dicarboxylic acid is sourced from PubChem (CID 24728738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).