2-chloro-6-propan-2-yloxypyrazine

C7H9ClN2O — CID 24689112

IUPAC2-chloro-6-propan-2-yloxypyrazine
SMILESCC(C)Oc1cncc(Cl)n1
InChIInChI=1S/C7H9ClN2O/c1-5(2)11-7-4-9-3-6(8)10-7/h3-5H,1-2H3
InChIKeyJQXBZEQRXQPLOC-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.92
Rot. Bonds2

About 2-chloro-6-propan-2-yloxypyrazine

2-chloro-6-propan-2-yloxypyrazine (PubChem CID 24689112) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-chloro-6-propan-2-yloxypyrazine.

Molecular Properties

Compound Name2-chloro-6-propan-2-yloxypyrazine
PubChem CID24689112
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name2-chloro-6-propan-2-yloxypyrazine
SMILESCC(C)Oc1cncc(Cl)n1
InChIInChI=1S/C7H9ClN2O/c1-5(2)11-7-4-9-3-6(8)10-7/h3-5H,1-2H3
InChIKeyJQXBZEQRXQPLOC-UHFFFAOYSA-N
XLogP1.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-yloxypyrazine?
The IUPAC name of 2-chloro-6-propan-2-yloxypyrazine (CID 24689112) is 2-chloro-6-propan-2-yloxypyrazine.
What is the SMILES notation for 2-chloro-6-propan-2-yloxypyrazine?
The canonical SMILES for 2-chloro-6-propan-2-yloxypyrazine is CC(C)Oc1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-propan-2-yloxypyrazine?
The InChIKey is JQXBZEQRXQPLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-5(2)11-7-4-9-3-6(8)10-7/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-propan-2-yloxypyrazine?
2-chloro-6-propan-2-yloxypyrazine has a molecular weight of 172.62 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-yloxypyrazine is sourced from PubChem (CID 24689112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).