(5-fluoroindazol-1-yl) acetate

C9H7FN2O2 — CID 88995678

IUPAC(5-fluoroindazol-1-yl) acetate
SMILESCC(=O)On1ncc2cc(F)ccc21
InChIInChI=1S/C9H7FN2O2/c1-6(13)14-12-9-3-2-8(10)4-7(9)5-11-12/h2-5H,1H3
InChIKeyURVCDMDMCPKSFL-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.15
Rot. Bonds1

About (5-fluoroindazol-1-yl) acetate

(5-fluoroindazol-1-yl) acetate (PubChem CID 88995678) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is (5-fluoroindazol-1-yl) acetate.

Molecular Properties

Compound Name(5-fluoroindazol-1-yl) acetate
PubChem CID88995678
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name(5-fluoroindazol-1-yl) acetate
SMILESCC(=O)On1ncc2cc(F)ccc21
InChIInChI=1S/C9H7FN2O2/c1-6(13)14-12-9-3-2-8(10)4-7(9)5-11-12/h2-5H,1H3
InChIKeyURVCDMDMCPKSFL-UHFFFAOYSA-N
XLogP1.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoroindazol-1-yl) acetate?
The IUPAC name of (5-fluoroindazol-1-yl) acetate (CID 88995678) is (5-fluoroindazol-1-yl) acetate.
What is the SMILES notation for (5-fluoroindazol-1-yl) acetate?
The canonical SMILES for (5-fluoroindazol-1-yl) acetate is CC(=O)On1ncc2cc(F)ccc21.
What is the InChIKey of (5-fluoroindazol-1-yl) acetate?
The InChIKey is URVCDMDMCPKSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-6(13)14-12-9-3-2-8(10)4-7(9)5-11-12/h2-5H,1H3.
What are the key properties of (5-fluoroindazol-1-yl) acetate?
(5-fluoroindazol-1-yl) acetate has a molecular weight of 194.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoroindazol-1-yl) acetate is sourced from PubChem (CID 88995678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).