2,7-dimethylindazole-6-carboxylic acid

C10H10N2O2 — CID 117110179

IUPAC2,7-dimethylindazole-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2cn(C)nc12
InChIInChI=1S/C10H10N2O2/c1-6-8(10(13)14)4-3-7-5-12(2)11-9(6)7/h3-5H,1-2H3,(H,13,14)
InChIKeyRAWFBSDRJHJNBD-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.58
Rot. Bonds1

About 2,7-dimethylindazole-6-carboxylic acid

2,7-dimethylindazole-6-carboxylic acid (PubChem CID 117110179) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2,7-dimethylindazole-6-carboxylic acid.

Molecular Properties

Compound Name2,7-dimethylindazole-6-carboxylic acid
PubChem CID117110179
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2,7-dimethylindazole-6-carboxylic acid
SMILESCc1c(C(=O)O)ccc2cn(C)nc12
InChIInChI=1S/C10H10N2O2/c1-6-8(10(13)14)4-3-7-5-12(2)11-9(6)7/h3-5H,1-2H3,(H,13,14)
InChIKeyRAWFBSDRJHJNBD-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 2,7-dimethylindazole-6-carboxylic acid?
The IUPAC name of 2,7-dimethylindazole-6-carboxylic acid (CID 117110179) is 2,7-dimethylindazole-6-carboxylic acid.
What is the SMILES notation for 2,7-dimethylindazole-6-carboxylic acid?
The canonical SMILES for 2,7-dimethylindazole-6-carboxylic acid is Cc1c(C(=O)O)ccc2cn(C)nc12.
What is the InChIKey of 2,7-dimethylindazole-6-carboxylic acid?
The InChIKey is RAWFBSDRJHJNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-8(10(13)14)4-3-7-5-12(2)11-9(6)7/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2,7-dimethylindazole-6-carboxylic acid?
2,7-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 2,7-dimethylindazole-6-carboxylic acid is sourced from PubChem (CID 117110179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).