7H-indazole-3-carboxylic acid

C8H6N2O2 — CID 170434089

IUPAC7H-indazole-3-carboxylic acid
SMILESO=C(O)C1=NN=C2CC=CC=C21
InChIInChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-3H,4H2,(H,11,12)
InChIKeyVVEIFZGTBQSAQU-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.77
Rot. Bonds1

About 7H-indazole-3-carboxylic acid

7H-indazole-3-carboxylic acid (PubChem CID 170434089) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 7H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name7H-indazole-3-carboxylic acid
PubChem CID170434089
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name7H-indazole-3-carboxylic acid
SMILESO=C(O)C1=NN=C2CC=CC=C21
InChIInChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-3H,4H2,(H,11,12)
InChIKeyVVEIFZGTBQSAQU-UHFFFAOYSA-N
XLogP0.77
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-indazole-3-carboxamide;hydrochloride
CID 69371978
6H-furo[3,4-c]pyrazole-3-carboxylic acid
CID 129137179
4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid
CID 141444919
1,2-di(cyclopenta-1,3-dien-1-yl)ethane-1,2-dione
CID 123601552
cyclohepta-1,3,5-triene-1,3-dicarboxylic acid
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4-hydroxy-8H-quinolin-2-one
CID 91844576
carbonic acid;dicyclopenta-1,3-dien-1-yl sulfate
CID 175514137
2,7-dihydroindazol-3-one
CID 68805202
1-cyclopenta-1,3-dien-1-yl-2,2-dimethylpropan-1-one
CID 12861283
cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine
CID 91339514
2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
CID 517151
2,3-di(cyclopenta-1,3-dien-1-yl)but-2-enoic acid
CID 54527252

Frequently Asked Questions

What is the IUPAC name of 7H-indazole-3-carboxylic acid?
The IUPAC name of 7H-indazole-3-carboxylic acid (CID 170434089) is 7H-indazole-3-carboxylic acid.
What is the SMILES notation for 7H-indazole-3-carboxylic acid?
The canonical SMILES for 7H-indazole-3-carboxylic acid is O=C(O)C1=NN=C2CC=CC=C21.
What is the InChIKey of 7H-indazole-3-carboxylic acid?
The InChIKey is VVEIFZGTBQSAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8(12)7-5-3-1-2-4-6(5)9-10-7/h1-3H,4H2,(H,11,12).
What are the key properties of 7H-indazole-3-carboxylic acid?
7H-indazole-3-carboxylic acid has a molecular weight of 162.15 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-indazole-3-carboxylic acid is sourced from PubChem (CID 170434089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).