1H-indazol-5-yl 2-hydroxyacetate

C9H8N2O3 — CID 117051739

IUPAC1H-indazol-5-yl 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc2[nH]ncc2c1
InChIInChI=1S/C9H8N2O3/c12-5-9(13)14-7-1-2-8-6(3-7)4-10-11-8/h1-4,12H,5H2,(H,10,11)
InChIKeyXBGJJUXTQSQCKL-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.46
Rot. Bonds2

About 1H-indazol-5-yl 2-hydroxyacetate

1H-indazol-5-yl 2-hydroxyacetate (PubChem CID 117051739) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1H-indazol-5-yl 2-hydroxyacetate.

Molecular Properties

Compound Name1H-indazol-5-yl 2-hydroxyacetate
PubChem CID117051739
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name1H-indazol-5-yl 2-hydroxyacetate
SMILESO=C(CO)Oc1ccc2[nH]ncc2c1
InChIInChI=1S/C9H8N2O3/c12-5-9(13)14-7-1-2-8-6(3-7)4-10-11-8/h1-4,12H,5H2,(H,10,11)
InChIKeyXBGJJUXTQSQCKL-UHFFFAOYSA-N
XLogP0.46
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-5-yl 2-hydroxyacetate?
The IUPAC name of 1H-indazol-5-yl 2-hydroxyacetate (CID 117051739) is 1H-indazol-5-yl 2-hydroxyacetate.
What is the SMILES notation for 1H-indazol-5-yl 2-hydroxyacetate?
The canonical SMILES for 1H-indazol-5-yl 2-hydroxyacetate is O=C(CO)Oc1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazol-5-yl 2-hydroxyacetate?
The InChIKey is XBGJJUXTQSQCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-5-9(13)14-7-1-2-8-6(3-7)4-10-11-8/h1-4,12H,5H2,(H,10,11).
What are the key properties of 1H-indazol-5-yl 2-hydroxyacetate?
1H-indazol-5-yl 2-hydroxyacetate has a molecular weight of 192.17 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-5-yl 2-hydroxyacetate is sourced from PubChem (CID 117051739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).