2-(chloromethyl)-6-(4-methylphenoxy)pyrazine

C12H11ClN2O — CID 66466203

IUPAC2-(chloromethyl)-6-(4-methylphenoxy)pyrazine
SMILESCc1ccc(Oc2cncc(CCl)n2)cc1
InChIInChI=1S/C12H11ClN2O/c1-9-2-4-11(5-3-9)16-12-8-14-7-10(6-13)15-12/h2-5,7-8H,6H2,1H3
InChIKeyUXOLJWCUOSAVKK-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.32
Rot. Bonds3

About 2-(chloromethyl)-6-(4-methylphenoxy)pyrazine

2-(chloromethyl)-6-(4-methylphenoxy)pyrazine (PubChem CID 66466203) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(4-methylphenoxy)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(4-methylphenoxy)pyrazine
PubChem CID66466203
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-(chloromethyl)-6-(4-methylphenoxy)pyrazine
SMILESCc1ccc(Oc2cncc(CCl)n2)cc1
InChIInChI=1S/C12H11ClN2O/c1-9-2-4-11(5-3-9)16-12-8-14-7-10(6-13)15-12/h2-5,7-8H,6H2,1H3
InChIKeyUXOLJWCUOSAVKK-UHFFFAOYSA-N
XLogP3.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.32
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-(4-methylphenoxy)pyrazine?
The IUPAC name of 2-(chloromethyl)-6-(4-methylphenoxy)pyrazine (CID 66466203) is 2-(chloromethyl)-6-(4-methylphenoxy)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-(4-methylphenoxy)pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-(4-methylphenoxy)pyrazine is Cc1ccc(Oc2cncc(CCl)n2)cc1.
What is the InChIKey of 2-(chloromethyl)-6-(4-methylphenoxy)pyrazine?
The InChIKey is UXOLJWCUOSAVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9-2-4-11(5-3-9)16-12-8-14-7-10(6-13)15-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(4-methylphenoxy)pyrazine?
2-(chloromethyl)-6-(4-methylphenoxy)pyrazine has a molecular weight of 234.69 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(4-methylphenoxy)pyrazine is sourced from PubChem (CID 66466203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).