2-(chloromethyl)-6-methoxypyrazine;hydrochloride

C6H8Cl2N2O — CID 134690957

IUPAC2-(chloromethyl)-6-methoxypyrazine;hydrochloride
SMILESCOc1cncc(CCl)n1.Cl
InChIInChI=1S/C6H7ClN2O.ClH/c1-10-6-4-8-3-5(2-7)9-6;/h3-4H,2H2,1H3;1H
InChIKeyDXLLXZIRQOHNMI-UHFFFAOYSA-N
MW195.05 g/mol
LogP1.65
Rot. Bonds2

About 2-(chloromethyl)-6-methoxypyrazine;hydrochloride

2-(chloromethyl)-6-methoxypyrazine;hydrochloride (PubChem CID 134690957) has the molecular formula C6H8Cl2N2O and a molecular weight of 195.05 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methoxypyrazine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-6-methoxypyrazine;hydrochloride
PubChem CID134690957
Molecular FormulaC6H8Cl2N2O
Molecular Weight195.05 g/mol
Exact Mass194.00
IUPAC Name2-(chloromethyl)-6-methoxypyrazine;hydrochloride
SMILESCOc1cncc(CCl)n1.Cl
InChIInChI=1S/C6H7ClN2O.ClH/c1-10-6-4-8-3-5(2-7)9-6;/h3-4H,2H2,1H3;1H
InChIKeyDXLLXZIRQOHNMI-UHFFFAOYSA-N
XLogP1.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 51.65
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;hydrochloride?
The IUPAC name of 2-(chloromethyl)-6-methoxypyrazine;hydrochloride (CID 134690957) is 2-(chloromethyl)-6-methoxypyrazine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-6-methoxypyrazine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-6-methoxypyrazine;hydrochloride is COc1cncc(CCl)n1.Cl.
What is the InChIKey of 2-(chloromethyl)-6-methoxypyrazine;hydrochloride?
The InChIKey is DXLLXZIRQOHNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O.ClH/c1-10-6-4-8-3-5(2-7)9-6;/h3-4H,2H2,1H3;1H.
What are the key properties of 2-(chloromethyl)-6-methoxypyrazine;hydrochloride?
2-(chloromethyl)-6-methoxypyrazine;hydrochloride has a molecular weight of 195.05 g/mol, XLogP of 1.65, 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;hydrochloride is sourced from PubChem (CID 134690957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).