1-ethyl-6-fluoro-2H-indazol-3-one

C9H9FN2O — CID 105438546

IUPAC1-ethyl-6-fluoro-2H-indazol-3-one
SMILESCCn1[nH]c(=O)c2ccc(F)cc21
InChIInChI=1S/C9H9FN2O/c1-2-12-8-5-6(10)3-4-7(8)9(13)11-12/h3-5H,2H2,1H3,(H,11,13)
InChIKeyZCFXWKLUQWACNY-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.49
Rot. Bonds1

About 1-ethyl-6-fluoro-2H-indazol-3-one

1-ethyl-6-fluoro-2H-indazol-3-one (PubChem CID 105438546) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-2H-indazol-3-one.

Molecular Properties

Compound Name1-ethyl-6-fluoro-2H-indazol-3-one
PubChem CID105438546
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name1-ethyl-6-fluoro-2H-indazol-3-one
SMILESCCn1[nH]c(=O)c2ccc(F)cc21
InChIInChI=1S/C9H9FN2O/c1-2-12-8-5-6(10)3-4-7(8)9(13)11-12/h3-5H,2H2,1H3,(H,11,13)
InChIKeyZCFXWKLUQWACNY-UHFFFAOYSA-N
XLogP1.49
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-2H-indazol-3-one?
The IUPAC name of 1-ethyl-6-fluoro-2H-indazol-3-one (CID 105438546) is 1-ethyl-6-fluoro-2H-indazol-3-one.
What is the SMILES notation for 1-ethyl-6-fluoro-2H-indazol-3-one?
The canonical SMILES for 1-ethyl-6-fluoro-2H-indazol-3-one is CCn1[nH]c(=O)c2ccc(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-2H-indazol-3-one?
The InChIKey is ZCFXWKLUQWACNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-2-12-8-5-6(10)3-4-7(8)9(13)11-12/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of 1-ethyl-6-fluoro-2H-indazol-3-one?
1-ethyl-6-fluoro-2H-indazol-3-one has a molecular weight of 180.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-2H-indazol-3-one is sourced from PubChem (CID 105438546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).