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

C8H11ClN2O — CID 143013176

IUPAC2-(6-chloro-3-ethylpyrazin-2-yl)ethanol
SMILESCCc1ncc(Cl)nc1CCO
InChIInChI=1S/C8H11ClN2O/c1-2-6-7(3-4-12)11-8(9)5-10-6/h5,12H,2-4H2,1H3
InChIKeyWVXVWVTYCLJUDE-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.23
Rot. Bonds3

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

2-(6-chloro-3-ethylpyrazin-2-yl)ethanol (PubChem CID 143013176) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(6-chloro-3-ethylpyrazin-2-yl)ethanol
PubChem CID143013176
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(6-chloro-3-ethylpyrazin-2-yl)ethanol
SMILESCCc1ncc(Cl)nc1CCO
InChIInChI=1S/C8H11ClN2O/c1-2-6-7(3-4-12)11-8(9)5-10-6/h5,12H,2-4H2,1H3
InChIKeyWVXVWVTYCLJUDE-UHFFFAOYSA-N
XLogP1.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol?
The IUPAC name of 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol (CID 143013176) is 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol.
What is the SMILES notation for 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol?
The canonical SMILES for 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol is CCc1ncc(Cl)nc1CCO.
What is the InChIKey of 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol?
The InChIKey is WVXVWVTYCLJUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-2-6-7(3-4-12)11-8(9)5-10-6/h5,12H,2-4H2,1H3.
What are the key properties of 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol?
2-(6-chloro-3-ethylpyrazin-2-yl)ethanol has a molecular weight of 186.64 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-ethylpyrazin-2-yl)ethanol is sourced from PubChem (CID 143013176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).