3-ethoxy-5-fluoro-1H-indazole

C9H9FN2O — CID 58657395

IUPAC3-ethoxy-5-fluoro-1H-indazole
SMILESCCOc1n[nH]c2ccc(F)cc12
InChIInChI=1S/C9H9FN2O/c1-2-13-9-7-5-6(10)3-4-8(7)11-12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyHXPBEXMZPXCEMB-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.10
Rot. Bonds2

About 3-ethoxy-5-fluoro-1H-indazole

3-ethoxy-5-fluoro-1H-indazole (PubChem CID 58657395) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 3-ethoxy-5-fluoro-1H-indazole.

Molecular Properties

Compound Name3-ethoxy-5-fluoro-1H-indazole
PubChem CID58657395
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name3-ethoxy-5-fluoro-1H-indazole
SMILESCCOc1n[nH]c2ccc(F)cc12
InChIInChI=1S/C9H9FN2O/c1-2-13-9-7-5-6(10)3-4-8(7)11-12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyHXPBEXMZPXCEMB-UHFFFAOYSA-N
XLogP2.10
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-fluoro-1H-indazole?
The IUPAC name of 3-ethoxy-5-fluoro-1H-indazole (CID 58657395) is 3-ethoxy-5-fluoro-1H-indazole.
What is the SMILES notation for 3-ethoxy-5-fluoro-1H-indazole?
The canonical SMILES for 3-ethoxy-5-fluoro-1H-indazole is CCOc1n[nH]c2ccc(F)cc12.
What is the InChIKey of 3-ethoxy-5-fluoro-1H-indazole?
The InChIKey is HXPBEXMZPXCEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-2-13-9-7-5-6(10)3-4-8(7)11-12-9/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 3-ethoxy-5-fluoro-1H-indazole?
3-ethoxy-5-fluoro-1H-indazole has a molecular weight of 180.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-fluoro-1H-indazole is sourced from PubChem (CID 58657395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).