2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine

C10H15IN2O — CID 163928378

IUPAC2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine
SMILESCCc1cncc(OCC(C)(C)I)n1
InChIInChI=1S/C10H15IN2O/c1-4-8-5-12-6-9(13-8)14-7-10(2,3)11/h5-6H,4,7H2,1-3H3
InChIKeyRGMGVAYWIWVINE-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.63
Rot. Bonds4

About 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine

2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine (PubChem CID 163928378) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine.

Molecular Properties

Compound Name2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine
PubChem CID163928378
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine
SMILESCCc1cncc(OCC(C)(C)I)n1
InChIInChI=1S/C10H15IN2O/c1-4-8-5-12-6-9(13-8)14-7-10(2,3)11/h5-6H,4,7H2,1-3H3
InChIKeyRGMGVAYWIWVINE-UHFFFAOYSA-N
XLogP2.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine?
The IUPAC name of 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine (CID 163928378) is 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine.
What is the SMILES notation for 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine?
The canonical SMILES for 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine is CCc1cncc(OCC(C)(C)I)n1.
What is the InChIKey of 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine?
The InChIKey is RGMGVAYWIWVINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-4-8-5-12-6-9(13-8)14-7-10(2,3)11/h5-6H,4,7H2,1-3H3.
What are the key properties of 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine?
2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine has a molecular weight of 306.15 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-iodo-2-methylpropoxy)pyrazine is sourced from PubChem (CID 163928378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).