2-(2,6-dimethylindazol-3-yl)propanoic acid

C12H14N2O2 — CID 84724269

IUPAC2-(2,6-dimethylindazol-3-yl)propanoic acid
SMILESCc1ccc2c(C(C)C(=O)O)n(C)nc2c1
InChIInChI=1S/C12H14N2O2/c1-7-4-5-9-10(6-7)13-14(3)11(9)8(2)12(15)16/h4-6,8H,1-3H3,(H,15,16)
InChIKeyZLUUJYOHQNWWQK-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.07
Rot. Bonds2

About 2-(2,6-dimethylindazol-3-yl)propanoic acid

2-(2,6-dimethylindazol-3-yl)propanoic acid (PubChem CID 84724269) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2,6-dimethylindazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,6-dimethylindazol-3-yl)propanoic acid
PubChem CID84724269
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2,6-dimethylindazol-3-yl)propanoic acid
SMILESCc1ccc2c(C(C)C(=O)O)n(C)nc2c1
InChIInChI=1S/C12H14N2O2/c1-7-4-5-9-10(6-7)13-14(3)11(9)8(2)12(15)16/h4-6,8H,1-3H3,(H,15,16)
InChIKeyZLUUJYOHQNWWQK-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylindazol-3-yl)propanoic acid?
The IUPAC name of 2-(2,6-dimethylindazol-3-yl)propanoic acid (CID 84724269) is 2-(2,6-dimethylindazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(2,6-dimethylindazol-3-yl)propanoic acid?
The canonical SMILES for 2-(2,6-dimethylindazol-3-yl)propanoic acid is Cc1ccc2c(C(C)C(=O)O)n(C)nc2c1.
What is the InChIKey of 2-(2,6-dimethylindazol-3-yl)propanoic acid?
The InChIKey is ZLUUJYOHQNWWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-4-5-9-10(6-7)13-14(3)11(9)8(2)12(15)16/h4-6,8H,1-3H3,(H,15,16).
What are the key properties of 2-(2,6-dimethylindazol-3-yl)propanoic acid?
2-(2,6-dimethylindazol-3-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylindazol-3-yl)propanoic acid is sourced from PubChem (CID 84724269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).