3-chloro-5-methoxy-2-(methoxymethyl)pyrazine

C7H9ClN2O2 — CID 20528993

IUPAC3-chloro-5-methoxy-2-(methoxymethyl)pyrazine
SMILESCOCc1ncc(OC)nc1Cl
InChIInChI=1S/C7H9ClN2O2/c1-11-4-5-7(8)10-6(12-2)3-9-5/h3H,4H2,1-2H3
InChIKeyVVLIUTZAALJJSO-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.28
Rot. Bonds3

About 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine

3-chloro-5-methoxy-2-(methoxymethyl)pyrazine (PubChem CID 20528993) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine.

Molecular Properties

Compound Name3-chloro-5-methoxy-2-(methoxymethyl)pyrazine
PubChem CID20528993
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name3-chloro-5-methoxy-2-(methoxymethyl)pyrazine
SMILESCOCc1ncc(OC)nc1Cl
InChIInChI=1S/C7H9ClN2O2/c1-11-4-5-7(8)10-6(12-2)3-9-5/h3H,4H2,1-2H3
InChIKeyVVLIUTZAALJJSO-UHFFFAOYSA-N
XLogP1.28
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine?
The IUPAC name of 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine (CID 20528993) is 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine.
What is the SMILES notation for 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine?
The canonical SMILES for 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine is COCc1ncc(OC)nc1Cl.
What is the InChIKey of 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine?
The InChIKey is VVLIUTZAALJJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-11-4-5-7(8)10-6(12-2)3-9-5/h3H,4H2,1-2H3.
What are the key properties of 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine?
3-chloro-5-methoxy-2-(methoxymethyl)pyrazine has a molecular weight of 188.61 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-2-(methoxymethyl)pyrazine is sourced from PubChem (CID 20528993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).