3,5-dichloro-2-methoxypyrazine

C5H4Cl2N2O — CID 71699962

IUPAC3,5-dichloro-2-methoxypyrazine
SMILESCOc1ncc(Cl)nc1Cl
InChIInChI=1S/C5H4Cl2N2O/c1-10-5-4(7)9-3(6)2-8-5/h2H,1H3
InChIKeyMORBPWIOMXSHJF-UHFFFAOYSA-N
MW179.01 g/mol
LogP1.79
Rot. Bonds1

About 3,5-dichloro-2-methoxypyrazine

3,5-dichloro-2-methoxypyrazine (PubChem CID 71699962) has the molecular formula C5H4Cl2N2O and a molecular weight of 179.01 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxypyrazine.

Molecular Properties

Compound Name3,5-dichloro-2-methoxypyrazine
PubChem CID71699962
Molecular FormulaC5H4Cl2N2O
Molecular Weight179.01 g/mol
Exact Mass177.97
IUPAC Name3,5-dichloro-2-methoxypyrazine
SMILESCOc1ncc(Cl)nc1Cl
InChIInChI=1S/C5H4Cl2N2O/c1-10-5-4(7)9-3(6)2-8-5/h2H,1H3
InChIKeyMORBPWIOMXSHJF-UHFFFAOYSA-N
XLogP1.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxypyrazine?
The IUPAC name of 3,5-dichloro-2-methoxypyrazine (CID 71699962) is 3,5-dichloro-2-methoxypyrazine.
What is the SMILES notation for 3,5-dichloro-2-methoxypyrazine?
The canonical SMILES for 3,5-dichloro-2-methoxypyrazine is COc1ncc(Cl)nc1Cl.
What is the InChIKey of 3,5-dichloro-2-methoxypyrazine?
The InChIKey is MORBPWIOMXSHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O/c1-10-5-4(7)9-3(6)2-8-5/h2H,1H3.
What are the key properties of 3,5-dichloro-2-methoxypyrazine?
3,5-dichloro-2-methoxypyrazine has a molecular weight of 179.01 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxypyrazine is sourced from PubChem (CID 71699962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).