1,3-dimethylindazole-6-carboxylic acid

C10H10N2O2 — CID 55271675

IUPAC1,3-dimethylindazole-6-carboxylic acid
SMILESCc1nn(C)c2cc(C(=O)O)ccc12
InChIInChI=1S/C10H10N2O2/c1-6-8-4-3-7(10(13)14)5-9(8)12(2)11-6/h3-5H,1-2H3,(H,13,14)
InChIKeyCPLFRBGIKHNEKO-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.58
Rot. Bonds1

About 1,3-dimethylindazole-6-carboxylic acid

1,3-dimethylindazole-6-carboxylic acid (PubChem CID 55271675) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1,3-dimethylindazole-6-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethylindazole-6-carboxylic acid
PubChem CID55271675
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1,3-dimethylindazole-6-carboxylic acid
SMILESCc1nn(C)c2cc(C(=O)O)ccc12
InChIInChI=1S/C10H10N2O2/c1-6-8-4-3-7(10(13)14)5-9(8)12(2)11-6/h3-5H,1-2H3,(H,13,14)
InChIKeyCPLFRBGIKHNEKO-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylindazole-6-carboxylic acid?
The IUPAC name of 1,3-dimethylindazole-6-carboxylic acid (CID 55271675) is 1,3-dimethylindazole-6-carboxylic acid.
What is the SMILES notation for 1,3-dimethylindazole-6-carboxylic acid?
The canonical SMILES for 1,3-dimethylindazole-6-carboxylic acid is Cc1nn(C)c2cc(C(=O)O)ccc12.
What is the InChIKey of 1,3-dimethylindazole-6-carboxylic acid?
The InChIKey is CPLFRBGIKHNEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-8-4-3-7(10(13)14)5-9(8)12(2)11-6/h3-5H,1-2H3,(H,13,14).
What are the key properties of 1,3-dimethylindazole-6-carboxylic acid?
1,3-dimethylindazole-6-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylindazole-6-carboxylic acid is sourced from PubChem (CID 55271675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).