1-(6-fluoro-1-methylindazol-5-yl)ethanone

C10H9FN2O — CID 83877961

IUPAC1-(6-fluoro-1-methylindazol-5-yl)ethanone
SMILESCC(=O)c1cc2cnn(C)c2cc1F
InChIInChI=1S/C10H9FN2O/c1-6(14)8-3-7-5-12-13(2)10(7)4-9(8)11/h3-5H,1-2H3
InChIKeyHJBPPAKKGMCLBO-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.91
Rot. Bonds1

About 1-(6-fluoro-1-methylindazol-5-yl)ethanone

1-(6-fluoro-1-methylindazol-5-yl)ethanone (PubChem CID 83877961) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-(6-fluoro-1-methylindazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-1-methylindazol-5-yl)ethanone
PubChem CID83877961
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name1-(6-fluoro-1-methylindazol-5-yl)ethanone
SMILESCC(=O)c1cc2cnn(C)c2cc1F
InChIInChI=1S/C10H9FN2O/c1-6(14)8-3-7-5-12-13(2)10(7)4-9(8)11/h3-5H,1-2H3
InChIKeyHJBPPAKKGMCLBO-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methylindazol-5-yl)ethanone?
The IUPAC name of 1-(6-fluoro-1-methylindazol-5-yl)ethanone (CID 83877961) is 1-(6-fluoro-1-methylindazol-5-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-1-methylindazol-5-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-1-methylindazol-5-yl)ethanone is CC(=O)c1cc2cnn(C)c2cc1F.
What is the InChIKey of 1-(6-fluoro-1-methylindazol-5-yl)ethanone?
The InChIKey is HJBPPAKKGMCLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6(14)8-3-7-5-12-13(2)10(7)4-9(8)11/h3-5H,1-2H3.
What are the key properties of 1-(6-fluoro-1-methylindazol-5-yl)ethanone?
1-(6-fluoro-1-methylindazol-5-yl)ethanone has a molecular weight of 192.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methylindazol-5-yl)ethanone is sourced from PubChem (CID 83877961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).