1-(3-chloro-1-ethylindazol-6-yl)ethanone

C11H11ClN2O — CID 84725186

IUPAC1-(3-chloro-1-ethylindazol-6-yl)ethanone
SMILESCCn1nc(Cl)c2ccc(C(C)=O)cc21
InChIInChI=1S/C11H11ClN2O/c1-3-14-10-6-8(7(2)15)4-5-9(10)11(12)13-14/h4-6H,3H2,1-2H3
InChIKeyJVGHPWYBETXSQA-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-chloro-1-ethylindazol-6-yl)ethanone

1-(3-chloro-1-ethylindazol-6-yl)ethanone (PubChem CID 84725186) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-(3-chloro-1-ethylindazol-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-1-ethylindazol-6-yl)ethanone
PubChem CID84725186
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-(3-chloro-1-ethylindazol-6-yl)ethanone
SMILESCCn1nc(Cl)c2ccc(C(C)=O)cc21
InChIInChI=1S/C11H11ClN2O/c1-3-14-10-6-8(7(2)15)4-5-9(10)11(12)13-14/h4-6H,3H2,1-2H3
InChIKeyJVGHPWYBETXSQA-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-ethylindazol-5-yl)ethanone
CID 84725176
3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole
CID 132600580
1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone
CID 68715451
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate
CID 19086725
4-chloro-2-ethylpyrido[3,4-d]pyridazin-1-one
CID 171631017
1-(1-chloroisoquinolin-6-yl)ethanone
CID 119018146
1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39742337
2-[[3-chloro-6-(2-ethoxy-2-hydroxyacetyl)indazol-1-yl]methyl]-3-methylbenzonitrile
CID 166879912
1-[3-(2-methoxyethoxy)-1-methylindazol-6-yl]ethanone
CID 112757846
1-(2-methylbenzotriazol-5-yl)ethanone
CID 84750928
3-bromo-1-ethyl-7-pyridin-4-ylcinnolin-4-one
CID 15091340

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-ethylindazol-6-yl)ethanone?
The IUPAC name of 1-(3-chloro-1-ethylindazol-6-yl)ethanone (CID 84725186) is 1-(3-chloro-1-ethylindazol-6-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-1-ethylindazol-6-yl)ethanone?
The canonical SMILES for 1-(3-chloro-1-ethylindazol-6-yl)ethanone is CCn1nc(Cl)c2ccc(C(C)=O)cc21.
What is the InChIKey of 1-(3-chloro-1-ethylindazol-6-yl)ethanone?
The InChIKey is JVGHPWYBETXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-3-14-10-6-8(7(2)15)4-5-9(10)11(12)13-14/h4-6H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-1-ethylindazol-6-yl)ethanone?
1-(3-chloro-1-ethylindazol-6-yl)ethanone has a molecular weight of 222.68 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-ethylindazol-6-yl)ethanone is sourced from PubChem (CID 84725186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).