2,3,4-trimethylindazole-7-carboxylic acid

C11H12N2O2 — CID 117110311

IUPAC2,3,4-trimethylindazole-7-carboxylic acid
SMILESCc1ccc(C(=O)O)c2nn(C)c(C)c12
InChIInChI=1S/C11H12N2O2/c1-6-4-5-8(11(14)15)10-9(6)7(2)13(3)12-10/h4-5H,1-3H3,(H,14,15)
InChIKeyHGBYDXSPKXFJMZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.89
Rot. Bonds1

About 2,3,4-trimethylindazole-7-carboxylic acid

2,3,4-trimethylindazole-7-carboxylic acid (PubChem CID 117110311) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2,3,4-trimethylindazole-7-carboxylic acid.

Molecular Properties

Compound Name2,3,4-trimethylindazole-7-carboxylic acid
PubChem CID117110311
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2,3,4-trimethylindazole-7-carboxylic acid
SMILESCc1ccc(C(=O)O)c2nn(C)c(C)c12
InChIInChI=1S/C11H12N2O2/c1-6-4-5-8(11(14)15)10-9(6)7(2)13(3)12-10/h4-5H,1-3H3,(H,14,15)
InChIKeyHGBYDXSPKXFJMZ-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,3-dimethylindazole-5-carboxylic acid
CID 117110305
7-methoxy-2,3-dimethylindazole-6-carboxylic acid
CID 117110319
7-bromo-2,3-dimethylindazole-4-carboxamide
CID 173096594
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163
2,3-dimethylterephthalic acid
CID 158313107
2,7-dimethylindazole-6-carboxylic acid
CID 117110179
2,7-dimethyl-1,3-benzothiazole-4-carboxylic acid
CID 84675176
1,8-dimethylnaphthalene-2-carboxylic acid
CID 115057529
5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 81111614
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride
CID 82038384
1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 83907341

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylindazole-7-carboxylic acid?
The IUPAC name of 2,3,4-trimethylindazole-7-carboxylic acid (CID 117110311) is 2,3,4-trimethylindazole-7-carboxylic acid.
What is the SMILES notation for 2,3,4-trimethylindazole-7-carboxylic acid?
The canonical SMILES for 2,3,4-trimethylindazole-7-carboxylic acid is Cc1ccc(C(=O)O)c2nn(C)c(C)c12.
What is the InChIKey of 2,3,4-trimethylindazole-7-carboxylic acid?
The InChIKey is HGBYDXSPKXFJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-6-4-5-8(11(14)15)10-9(6)7(2)13(3)12-10/h4-5H,1-3H3,(H,14,15).
What are the key properties of 2,3,4-trimethylindazole-7-carboxylic acid?
2,3,4-trimethylindazole-7-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylindazole-7-carboxylic acid is sourced from PubChem (CID 117110311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).