3H-indazole-6-carboxylic acid

C8H6N2O2 — CID 124518030

IUPAC3H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N=NC2
InChIInChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-4-9-10-7(6)3-5/h1-3H,4H2,(H,11,12)
InChIKeyRNQLQTZTSLGALC-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.98
Rot. Bonds1

About 3H-indazole-6-carboxylic acid

3H-indazole-6-carboxylic acid (PubChem CID 124518030) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 3H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3H-indazole-6-carboxylic acid
PubChem CID124518030
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name3H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N=NC2
InChIInChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-4-9-10-7(6)3-5/h1-3H,4H2,(H,11,12)
InChIKeyRNQLQTZTSLGALC-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-dihydronaphthalene-2-carboxylic acid
CID 70557136
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
oxophosphane;terephthalic acid
CID 175391404
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15,24-tricarboxylic acid
CID 101463764
terephthalic acid
CID 160582437
5H-1,4-benzodiazepin-8-yl(piperidin-1-yl)methanone
CID 167065383

Frequently Asked Questions

What is the IUPAC name of 3H-indazole-6-carboxylic acid?
The IUPAC name of 3H-indazole-6-carboxylic acid (CID 124518030) is 3H-indazole-6-carboxylic acid.
What is the SMILES notation for 3H-indazole-6-carboxylic acid?
The canonical SMILES for 3H-indazole-6-carboxylic acid is O=C(O)c1ccc2c(c1)N=NC2.
What is the InChIKey of 3H-indazole-6-carboxylic acid?
The InChIKey is RNQLQTZTSLGALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-4-9-10-7(6)3-5/h1-3H,4H2,(H,11,12).
What are the key properties of 3H-indazole-6-carboxylic acid?
3H-indazole-6-carboxylic acid has a molecular weight of 162.15 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indazole-6-carboxylic acid is sourced from PubChem (CID 124518030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).