2-ethyl-5-(iodomethyl)pyrazine

C7H9IN2 — CID 142806041

IUPAC2-ethyl-5-(iodomethyl)pyrazine
SMILESCCc1cnc(CI)cn1
InChIInChI=1S/C7H9IN2/c1-2-6-4-10-7(3-8)5-9-6/h4-5H,2-3H2,1H3
InChIKeyYPPWGEBHDXEMJS-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.97
Rot. Bonds2

About 2-ethyl-5-(iodomethyl)pyrazine

2-ethyl-5-(iodomethyl)pyrazine (PubChem CID 142806041) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 2-ethyl-5-(iodomethyl)pyrazine.

Molecular Properties

Compound Name2-ethyl-5-(iodomethyl)pyrazine
PubChem CID142806041
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name2-ethyl-5-(iodomethyl)pyrazine
SMILESCCc1cnc(CI)cn1
InChIInChI=1S/C7H9IN2/c1-2-6-4-10-7(3-8)5-9-6/h4-5H,2-3H2,1H3
InChIKeyYPPWGEBHDXEMJS-UHFFFAOYSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-(iodomethyl)pyrazine?
The IUPAC name of 2-ethyl-5-(iodomethyl)pyrazine (CID 142806041) is 2-ethyl-5-(iodomethyl)pyrazine.
What is the SMILES notation for 2-ethyl-5-(iodomethyl)pyrazine?
The canonical SMILES for 2-ethyl-5-(iodomethyl)pyrazine is CCc1cnc(CI)cn1.
What is the InChIKey of 2-ethyl-5-(iodomethyl)pyrazine?
The InChIKey is YPPWGEBHDXEMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c1-2-6-4-10-7(3-8)5-9-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-ethyl-5-(iodomethyl)pyrazine?
2-ethyl-5-(iodomethyl)pyrazine has a molecular weight of 248.07 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(iodomethyl)pyrazine is sourced from PubChem (CID 142806041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).