2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine

C9H13ClN2O2 — CID 103488018

IUPAC2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine
SMILESCCOCC(C)Oc1cncc(Cl)n1
InChIInChI=1S/C9H13ClN2O2/c1-3-13-6-7(2)14-9-5-11-4-8(10)12-9/h4-5,7H,3,6H2,1-2H3
InChIKeyIDEIDGGJLGHRCT-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.93
Rot. Bonds5

About 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine

2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine (PubChem CID 103488018) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine
PubChem CID103488018
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine
SMILESCCOCC(C)Oc1cncc(Cl)n1
InChIInChI=1S/C9H13ClN2O2/c1-3-13-6-7(2)14-9-5-11-4-8(10)12-9/h4-5,7H,3,6H2,1-2H3
InChIKeyIDEIDGGJLGHRCT-UHFFFAOYSA-N
XLogP1.93
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine?
The IUPAC name of 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine (CID 103488018) is 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine.
What is the SMILES notation for 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine?
The canonical SMILES for 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine is CCOCC(C)Oc1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine?
The InChIKey is IDEIDGGJLGHRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-3-13-6-7(2)14-9-5-11-4-8(10)12-9/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine?
2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine has a molecular weight of 216.67 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-ethoxypropan-2-yloxy)pyrazine is sourced from PubChem (CID 103488018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).