5-methyl-1H-indazole-6-carboxylic acid

C9H8N2O2 — CID 53399381

IUPAC5-methyl-1H-indazole-6-carboxylic acid
SMILESCc1cc2cn[nH]c2cc1C(=O)O
InChIInChI=1S/C9H8N2O2/c1-5-2-6-4-10-11-8(6)3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyNTBATPXRJAVTLM-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.57
Rot. Bonds1

About 5-methyl-1H-indazole-6-carboxylic acid

5-methyl-1H-indazole-6-carboxylic acid (PubChem CID 53399381) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-methyl-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1H-indazole-6-carboxylic acid
PubChem CID53399381
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-methyl-1H-indazole-6-carboxylic acid
SMILESCc1cc2cn[nH]c2cc1C(=O)O
InChIInChI=1S/C9H8N2O2/c1-5-2-6-4-10-11-8(6)3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyNTBATPXRJAVTLM-UHFFFAOYSA-N
XLogP1.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-indazole-6-carboxylic acid?
The IUPAC name of 5-methyl-1H-indazole-6-carboxylic acid (CID 53399381) is 5-methyl-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 5-methyl-1H-indazole-6-carboxylic acid?
The canonical SMILES for 5-methyl-1H-indazole-6-carboxylic acid is Cc1cc2cn[nH]c2cc1C(=O)O.
What is the InChIKey of 5-methyl-1H-indazole-6-carboxylic acid?
The InChIKey is NTBATPXRJAVTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-2-6-4-10-11-8(6)3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methyl-1H-indazole-6-carboxylic acid?
5-methyl-1H-indazole-6-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 53399381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).