2-indazol-1-ylacetic acid

C9H8N2O2 — CID 6422830

IUPAC2-indazol-1-ylacetic acid
SMILESO=C(O)Cn1ncc2ccccc21
InChIInChI=1S/C9H8N2O2/c12-9(13)6-11-8-4-2-1-3-7(8)5-10-11/h1-5H,6H2,(H,12,13)
InChIKeyZNRZBEVYWWQQMN-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.12
Rot. Bonds2

About 2-indazol-1-ylacetic acid

2-indazol-1-ylacetic acid (PubChem CID 6422830) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-indazol-1-ylacetic acid.

Molecular Properties

Compound Name2-indazol-1-ylacetic acid
PubChem CID6422830
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-indazol-1-ylacetic acid
SMILESO=C(O)Cn1ncc2ccccc21
InChIInChI=1S/C9H8N2O2/c12-9(13)6-11-8-4-2-1-3-7(8)5-10-11/h1-5H,6H2,(H,12,13)
InChIKeyZNRZBEVYWWQQMN-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-ylacetic acid?
The IUPAC name of 2-indazol-1-ylacetic acid (CID 6422830) is 2-indazol-1-ylacetic acid.
What is the SMILES notation for 2-indazol-1-ylacetic acid?
The canonical SMILES for 2-indazol-1-ylacetic acid is O=C(O)Cn1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-ylacetic acid?
The InChIKey is ZNRZBEVYWWQQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)6-11-8-4-2-1-3-7(8)5-10-11/h1-5H,6H2,(H,12,13).
What are the key properties of 2-indazol-1-ylacetic acid?
2-indazol-1-ylacetic acid has a molecular weight of 176.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-ylacetic acid is sourced from PubChem (CID 6422830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).