2-(6-chloro-2-ethylindazol-3-yl)ethanol

C11H13ClN2O — CID 84725619

IUPAC2-(6-chloro-2-ethylindazol-3-yl)ethanol
SMILESCCn1nc2cc(Cl)ccc2c1CCO
InChIInChI=1S/C11H13ClN2O/c1-2-14-11(5-6-15)9-4-3-8(12)7-10(9)13-14/h3-4,7,15H,2,5-6H2,1H3
InChIKeyXPCJLGJEYDIIEE-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.24
Rot. Bonds3

About 2-(6-chloro-2-ethylindazol-3-yl)ethanol

2-(6-chloro-2-ethylindazol-3-yl)ethanol (PubChem CID 84725619) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(6-chloro-2-ethylindazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-chloro-2-ethylindazol-3-yl)ethanol
PubChem CID84725619
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-(6-chloro-2-ethylindazol-3-yl)ethanol
SMILESCCn1nc2cc(Cl)ccc2c1CCO
InChIInChI=1S/C11H13ClN2O/c1-2-14-11(5-6-15)9-4-3-8(12)7-10(9)13-14/h3-4,7,15H,2,5-6H2,1H3
InChIKeyXPCJLGJEYDIIEE-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-ethylindazol-3-yl)ethanol?
The IUPAC name of 2-(6-chloro-2-ethylindazol-3-yl)ethanol (CID 84725619) is 2-(6-chloro-2-ethylindazol-3-yl)ethanol.
What is the SMILES notation for 2-(6-chloro-2-ethylindazol-3-yl)ethanol?
The canonical SMILES for 2-(6-chloro-2-ethylindazol-3-yl)ethanol is CCn1nc2cc(Cl)ccc2c1CCO.
What is the InChIKey of 2-(6-chloro-2-ethylindazol-3-yl)ethanol?
The InChIKey is XPCJLGJEYDIIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-14-11(5-6-15)9-4-3-8(12)7-10(9)13-14/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 2-(6-chloro-2-ethylindazol-3-yl)ethanol?
2-(6-chloro-2-ethylindazol-3-yl)ethanol has a molecular weight of 224.69 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-ethylindazol-3-yl)ethanol is sourced from PubChem (CID 84725619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).