2-(chloromethyl)-6-methoxypyrazine

C6H7ClN2O — CID 64983125

IUPAC2-(chloromethyl)-6-methoxypyrazine
SMILESCOc1cncc(CCl)n1
InChIInChI=1S/C6H7ClN2O/c1-10-6-4-8-3-5(2-7)9-6/h3-4H,2H2,1H3
InChIKeyCUOBMFQXBQHUFA-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.22
Rot. Bonds2

About 2-(chloromethyl)-6-methoxypyrazine

2-(chloromethyl)-6-methoxypyrazine (PubChem CID 64983125) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methoxypyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methoxypyrazine
PubChem CID64983125
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-(chloromethyl)-6-methoxypyrazine
SMILESCOc1cncc(CCl)n1
InChIInChI=1S/C6H7ClN2O/c1-10-6-4-8-3-5(2-7)9-6/h3-4H,2H2,1H3
InChIKeyCUOBMFQXBQHUFA-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methoxypyrazine?
The IUPAC name of 2-(chloromethyl)-6-methoxypyrazine (CID 64983125) is 2-(chloromethyl)-6-methoxypyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-methoxypyrazine?
The canonical SMILES for 2-(chloromethyl)-6-methoxypyrazine is COc1cncc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-methoxypyrazine?
The InChIKey is CUOBMFQXBQHUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-10-6-4-8-3-5(2-7)9-6/h3-4H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methoxypyrazine?
2-(chloromethyl)-6-methoxypyrazine has a molecular weight of 158.59 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methoxypyrazine is sourced from PubChem (CID 64983125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).