2-chloro-6-ethoxypyrazine

C6H7ClN2O — CID 23273445

IUPAC2-chloro-6-ethoxypyrazine
SMILESCCOc1cncc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-2-10-6-4-8-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeyJPXGUVCWZHJCJL-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.53
Rot. Bonds2

About 2-chloro-6-ethoxypyrazine

2-chloro-6-ethoxypyrazine (PubChem CID 23273445) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-chloro-6-ethoxypyrazine.

Molecular Properties

Compound Name2-chloro-6-ethoxypyrazine
PubChem CID23273445
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-chloro-6-ethoxypyrazine
SMILESCCOc1cncc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-2-10-6-4-8-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeyJPXGUVCWZHJCJL-UHFFFAOYSA-N
XLogP1.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-ethoxypyrazine 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-chloro-6-ethoxypyrazine?
The IUPAC name of 2-chloro-6-ethoxypyrazine (CID 23273445) is 2-chloro-6-ethoxypyrazine.
What is the SMILES notation for 2-chloro-6-ethoxypyrazine?
The canonical SMILES for 2-chloro-6-ethoxypyrazine is CCOc1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethoxypyrazine?
The InChIKey is JPXGUVCWZHJCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-10-6-4-8-3-5(7)9-6/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-6-ethoxypyrazine?
2-chloro-6-ethoxypyrazine has a molecular weight of 158.59 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxypyrazine is sourced from PubChem (CID 23273445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).