2-(iodomethyl)-5-methylpyrazine

C6H7IN2 — CID 118184663

IUPAC2-(iodomethyl)-5-methylpyrazine
SMILESCc1cnc(CI)cn1
InChIInChI=1S/C6H7IN2/c1-5-3-9-6(2-7)4-8-5/h3-4H,2H2,1H3
InChIKeyBOWWTCPYTPLUCF-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.72
Rot. Bonds1

About 2-(iodomethyl)-5-methylpyrazine

2-(iodomethyl)-5-methylpyrazine (PubChem CID 118184663) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is 2-(iodomethyl)-5-methylpyrazine.

Molecular Properties

Compound Name2-(iodomethyl)-5-methylpyrazine
PubChem CID118184663
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC Name2-(iodomethyl)-5-methylpyrazine
SMILESCc1cnc(CI)cn1
InChIInChI=1S/C6H7IN2/c1-5-3-9-6(2-7)4-8-5/h3-4H,2H2,1H3
InChIKeyBOWWTCPYTPLUCF-UHFFFAOYSA-N
XLogP1.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 51.72
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-(iodomethyl)-5-methylpyrazine?
The IUPAC name of 2-(iodomethyl)-5-methylpyrazine (CID 118184663) is 2-(iodomethyl)-5-methylpyrazine.
What is the SMILES notation for 2-(iodomethyl)-5-methylpyrazine?
The canonical SMILES for 2-(iodomethyl)-5-methylpyrazine is Cc1cnc(CI)cn1.
What is the InChIKey of 2-(iodomethyl)-5-methylpyrazine?
The InChIKey is BOWWTCPYTPLUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c1-5-3-9-6(2-7)4-8-5/h3-4H,2H2,1H3.
What are the key properties of 2-(iodomethyl)-5-methylpyrazine?
2-(iodomethyl)-5-methylpyrazine has a molecular weight of 234.04 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-5-methylpyrazine is sourced from PubChem (CID 118184663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).