1H-indazole-5-carboxylic acid

C8H6N2O2 — CID 4248454

IUPAC1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C8H6N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-4H,(H,9,10)(H,11,12)
InChIKeyMAVGBUDLHOOROM-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.26
Rot. Bonds1

About 1H-indazole-5-carboxylic acid

1H-indazole-5-carboxylic acid (PubChem CID 4248454) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name1H-indazole-5-carboxylic acid
PubChem CID4248454
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C8H6N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-4H,(H,9,10)(H,11,12)
InChIKeyMAVGBUDLHOOROM-UHFFFAOYSA-N
XLogP1.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole-5-carboxylic acid?
The IUPAC name of 1H-indazole-5-carboxylic acid (CID 4248454) is 1H-indazole-5-carboxylic acid.
What is the SMILES notation for 1H-indazole-5-carboxylic acid?
The canonical SMILES for 1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole-5-carboxylic acid?
The InChIKey is MAVGBUDLHOOROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8(12)5-1-2-7-6(3-5)4-9-10-7/h1-4H,(H,9,10)(H,11,12).
What are the key properties of 1H-indazole-5-carboxylic acid?
1H-indazole-5-carboxylic acid has a molecular weight of 162.15 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-5-carboxylic acid is sourced from PubChem (CID 4248454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).