2-(1,7-dimethylindazol-3-yl)acetic acid

C11H12N2O2 — CID 83908649

IUPAC2-(1,7-dimethylindazol-3-yl)acetic acid
SMILESCc1cccc2c(CC(=O)O)nn(C)c12
InChIInChI=1S/C11H12N2O2/c1-7-4-3-5-8-9(6-10(14)15)12-13(2)11(7)8/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyOWSZBTTUOOYKBE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.51
Rot. Bonds2

About 2-(1,7-dimethylindazol-3-yl)acetic acid

2-(1,7-dimethylindazol-3-yl)acetic acid (PubChem CID 83908649) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(1,7-dimethylindazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,7-dimethylindazol-3-yl)acetic acid
PubChem CID83908649
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(1,7-dimethylindazol-3-yl)acetic acid
SMILESCc1cccc2c(CC(=O)O)nn(C)c12
InChIInChI=1S/C11H12N2O2/c1-7-4-3-5-8-9(6-10(14)15)12-13(2)11(7)8/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyOWSZBTTUOOYKBE-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dimethylindazol-3-yl)acetic acid?
The IUPAC name of 2-(1,7-dimethylindazol-3-yl)acetic acid (CID 83908649) is 2-(1,7-dimethylindazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1,7-dimethylindazol-3-yl)acetic acid?
The canonical SMILES for 2-(1,7-dimethylindazol-3-yl)acetic acid is Cc1cccc2c(CC(=O)O)nn(C)c12.
What is the InChIKey of 2-(1,7-dimethylindazol-3-yl)acetic acid?
The InChIKey is OWSZBTTUOOYKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-4-3-5-8-9(6-10(14)15)12-13(2)11(7)8/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(1,7-dimethylindazol-3-yl)acetic acid?
2-(1,7-dimethylindazol-3-yl)acetic acid has a molecular weight of 204.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-dimethylindazol-3-yl)acetic acid is sourced from PubChem (CID 83908649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).