(5-fluoro-1H-indazol-7-yl) acetate

C9H7FN2O2 — CID 174564145

IUPAC(5-fluoro-1H-indazol-7-yl) acetate
SMILESCC(=O)Oc1cc(F)cc2cn[nH]c12
InChIInChI=1S/C9H7FN2O2/c1-5(13)14-8-3-7(10)2-6-4-11-12-9(6)8/h2-4H,1H3,(H,11,12)
InChIKeyZXIMCUXFIRRBCH-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.63
Rot. Bonds1

About (5-fluoro-1H-indazol-7-yl) acetate

(5-fluoro-1H-indazol-7-yl) acetate (PubChem CID 174564145) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is (5-fluoro-1H-indazol-7-yl) acetate.

Molecular Properties

Compound Name(5-fluoro-1H-indazol-7-yl) acetate
PubChem CID174564145
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name(5-fluoro-1H-indazol-7-yl) acetate
SMILESCC(=O)Oc1cc(F)cc2cn[nH]c12
InChIInChI=1S/C9H7FN2O2/c1-5(13)14-8-3-7(10)2-6-4-11-12-9(6)8/h2-4H,1H3,(H,11,12)
InChIKeyZXIMCUXFIRRBCH-UHFFFAOYSA-N
XLogP1.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5-fluoro-1H-indazol-7-yl) acetate?
The IUPAC name of (5-fluoro-1H-indazol-7-yl) acetate (CID 174564145) is (5-fluoro-1H-indazol-7-yl) acetate.
What is the SMILES notation for (5-fluoro-1H-indazol-7-yl) acetate?
The canonical SMILES for (5-fluoro-1H-indazol-7-yl) acetate is CC(=O)Oc1cc(F)cc2cn[nH]c12.
What is the InChIKey of (5-fluoro-1H-indazol-7-yl) acetate?
The InChIKey is ZXIMCUXFIRRBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-5(13)14-8-3-7(10)2-6-4-11-12-9(6)8/h2-4H,1H3,(H,11,12).
What are the key properties of (5-fluoro-1H-indazol-7-yl) acetate?
(5-fluoro-1H-indazol-7-yl) acetate has a molecular weight of 194.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indazol-7-yl) acetate is sourced from PubChem (CID 174564145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).