2-hydroxy-1-indazol-1-ylethanone

C9H8N2O2 — CID 141178771

IUPAC2-hydroxy-1-indazol-1-ylethanone
SMILESO=C(CO)n1ncc2ccccc21
InChIInChI=1S/C9H8N2O2/c12-6-9(13)11-8-4-2-1-3-7(8)5-10-11/h1-5,12H,6H2
InChIKeyYCICIGHYRLCSHX-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.67
Rot. Bonds1

About 2-hydroxy-1-indazol-1-ylethanone

2-hydroxy-1-indazol-1-ylethanone (PubChem CID 141178771) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-hydroxy-1-indazol-1-ylethanone.

Molecular Properties

Compound Name2-hydroxy-1-indazol-1-ylethanone
PubChem CID141178771
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-hydroxy-1-indazol-1-ylethanone
SMILESO=C(CO)n1ncc2ccccc21
InChIInChI=1S/C9H8N2O2/c12-6-9(13)11-8-4-2-1-3-7(8)5-10-11/h1-5,12H,6H2
InChIKeyYCICIGHYRLCSHX-UHFFFAOYSA-N
XLogP0.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-indazol-1-ylethanone?
The IUPAC name of 2-hydroxy-1-indazol-1-ylethanone (CID 141178771) is 2-hydroxy-1-indazol-1-ylethanone.
What is the SMILES notation for 2-hydroxy-1-indazol-1-ylethanone?
The canonical SMILES for 2-hydroxy-1-indazol-1-ylethanone is O=C(CO)n1ncc2ccccc21.
What is the InChIKey of 2-hydroxy-1-indazol-1-ylethanone?
The InChIKey is YCICIGHYRLCSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-6-9(13)11-8-4-2-1-3-7(8)5-10-11/h1-5,12H,6H2.
What are the key properties of 2-hydroxy-1-indazol-1-ylethanone?
2-hydroxy-1-indazol-1-ylethanone has a molecular weight of 176.17 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-indazol-1-ylethanone is sourced from PubChem (CID 141178771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).