2,5-bis(2-iodoethynyl)pyrazine

C8H2I2N2 — CID 139205365

IUPAC2,5-bis(2-iodoethynyl)pyrazine
SMILESIC#Cc1cnc(C#CI)cn1
InChIInChI=1S/C8H2I2N2/c9-3-1-7-5-12-8(2-4-10)6-11-7/h5-6H
InChIKeyOEUCJVUOIYLGQZ-UHFFFAOYSA-N
MW379.93 g/mol
LogP1.96
Rot. Bonds

About 2,5-bis(2-iodoethynyl)pyrazine

2,5-bis(2-iodoethynyl)pyrazine (PubChem CID 139205365) has the molecular formula C8H2I2N2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 2,5-bis(2-iodoethynyl)pyrazine.

Molecular Properties

Compound Name2,5-bis(2-iodoethynyl)pyrazine
PubChem CID139205365
Molecular FormulaC8H2I2N2
Molecular Weight379.93 g/mol
Exact Mass379.83
IUPAC Name2,5-bis(2-iodoethynyl)pyrazine
SMILESIC#Cc1cnc(C#CI)cn1
InChIInChI=1S/C8H2I2N2/c9-3-1-7-5-12-8(2-4-10)6-11-7/h5-6H
InChIKeyOEUCJVUOIYLGQZ-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(5-methylpyrazin-2-yl)ethynyl]pyrazine-2-carbonitrile
CID 135303516
2-(5-bromopyrazin-2-yl)ethynyl-trimethylsilane
CID 57497686
2-(2-pyrazin-2-ylethynyl)pyrazine
CID 90277956
2-(5-methoxypyrazin-2-yl)ethynyl-trimethylsilane
CID 90303128
[5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol
CID 129091700
3-pyrazin-2-ylprop-2-yne-1-thiol
CID 169485935
5-[bis(trimethylsilyl)amino]pyridine-2-carbonitrile
CID 66606827
ethyl 3-(5-methylpyrazin-2-yl)prop-2-ynoate
CID 165462707
4,5-dibromopyridine-2-carbonitrile
CID 118846548
3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
CID 169484738
2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite
CID 146230258
2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite
CID 126760892

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-iodoethynyl)pyrazine?
The IUPAC name of 2,5-bis(2-iodoethynyl)pyrazine (CID 139205365) is 2,5-bis(2-iodoethynyl)pyrazine.
What is the SMILES notation for 2,5-bis(2-iodoethynyl)pyrazine?
The canonical SMILES for 2,5-bis(2-iodoethynyl)pyrazine is IC#Cc1cnc(C#CI)cn1.
What is the InChIKey of 2,5-bis(2-iodoethynyl)pyrazine?
The InChIKey is OEUCJVUOIYLGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2I2N2/c9-3-1-7-5-12-8(2-4-10)6-11-7/h5-6H.
What are the key properties of 2,5-bis(2-iodoethynyl)pyrazine?
2,5-bis(2-iodoethynyl)pyrazine has a molecular weight of 379.93 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-iodoethynyl)pyrazine is sourced from PubChem (CID 139205365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).