1-(3-chloro-2-ethylindazol-5-yl)ethanone

C11H11ClN2O — CID 84725176

IUPAC1-(3-chloro-2-ethylindazol-5-yl)ethanone
SMILESCCn1nc2ccc(C(C)=O)cc2c1Cl
InChIInChI=1S/C11H11ClN2O/c1-3-14-11(12)9-6-8(7(2)15)4-5-10(9)13-14/h4-6H,3H2,1-2H3
InChIKeyWOBBKKHIJJFGGK-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-chloro-2-ethylindazol-5-yl)ethanone

1-(3-chloro-2-ethylindazol-5-yl)ethanone (PubChem CID 84725176) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 1-(3-chloro-2-ethylindazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-ethylindazol-5-yl)ethanone
PubChem CID84725176
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name1-(3-chloro-2-ethylindazol-5-yl)ethanone
SMILESCCn1nc2ccc(C(C)=O)cc2c1Cl
InChIInChI=1S/C11H11ClN2O/c1-3-14-11(12)9-6-8(7(2)15)4-5-10(9)13-14/h4-6H,3H2,1-2H3
InChIKeyWOBBKKHIJJFGGK-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 ≤ 500222.67
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethylindazol-5-yl)ethanone?
The IUPAC name of 1-(3-chloro-2-ethylindazol-5-yl)ethanone (CID 84725176) is 1-(3-chloro-2-ethylindazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-2-ethylindazol-5-yl)ethanone?
The canonical SMILES for 1-(3-chloro-2-ethylindazol-5-yl)ethanone is CCn1nc2ccc(C(C)=O)cc2c1Cl.
What is the InChIKey of 1-(3-chloro-2-ethylindazol-5-yl)ethanone?
The InChIKey is WOBBKKHIJJFGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-3-14-11(12)9-6-8(7(2)15)4-5-10(9)13-14/h4-6H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-2-ethylindazol-5-yl)ethanone?
1-(3-chloro-2-ethylindazol-5-yl)ethanone has a molecular weight of 222.67 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-2-ethylindazol-5-yl)ethanone is sourced from PubChem (CID 84725176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).