2-(chloromethyl)-6-pentan-2-yloxypyrazine

C10H15ClN2O — CID 102983061

IUPAC2-(chloromethyl)-6-pentan-2-yloxypyrazine
SMILESCCCC(C)Oc1cncc(CCl)n1
InChIInChI=1S/C10H15ClN2O/c1-3-4-8(2)14-10-7-12-6-9(5-11)13-10/h6-8H,3-5H2,1-2H3
InChIKeyBIZNQFDJRZWFRJ-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.78
Rot. Bonds5

About 2-(chloromethyl)-6-pentan-2-yloxypyrazine

2-(chloromethyl)-6-pentan-2-yloxypyrazine (PubChem CID 102983061) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-(chloromethyl)-6-pentan-2-yloxypyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-pentan-2-yloxypyrazine
PubChem CID102983061
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-(chloromethyl)-6-pentan-2-yloxypyrazine
SMILESCCCC(C)Oc1cncc(CCl)n1
InChIInChI=1S/C10H15ClN2O/c1-3-4-8(2)14-10-7-12-6-9(5-11)13-10/h6-8H,3-5H2,1-2H3
InChIKeyBIZNQFDJRZWFRJ-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.78
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-pentan-2-yloxypyrazine?
The IUPAC name of 2-(chloromethyl)-6-pentan-2-yloxypyrazine (CID 102983061) is 2-(chloromethyl)-6-pentan-2-yloxypyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-pentan-2-yloxypyrazine?
The canonical SMILES for 2-(chloromethyl)-6-pentan-2-yloxypyrazine is CCCC(C)Oc1cncc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-pentan-2-yloxypyrazine?
The InChIKey is BIZNQFDJRZWFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-3-4-8(2)14-10-7-12-6-9(5-11)13-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-pentan-2-yloxypyrazine?
2-(chloromethyl)-6-pentan-2-yloxypyrazine has a molecular weight of 214.70 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-pentan-2-yloxypyrazine is sourced from PubChem (CID 102983061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).