2-(1-iodoethenyl)pyrazine

C6H5IN2 — CID 122605916

IUPAC2-(1-iodoethenyl)pyrazine
SMILESC=C(I)c1cnccn1
InChIInChI=1S/C6H5IN2/c1-5(7)6-4-8-2-3-9-6/h2-4H,1H2
InChIKeyUCKQAOCJDLRRDY-UHFFFAOYSA-N
MW232.02 g/mol
LogP1.88
Rot. Bonds1

About 2-(1-iodoethenyl)pyrazine

2-(1-iodoethenyl)pyrazine (PubChem CID 122605916) has the molecular formula C6H5IN2 and a molecular weight of 232.02 g/mol. Its IUPAC name is 2-(1-iodoethenyl)pyrazine.

Molecular Properties

Compound Name2-(1-iodoethenyl)pyrazine
PubChem CID122605916
Molecular FormulaC6H5IN2
Molecular Weight232.02 g/mol
Exact Mass231.95
IUPAC Name2-(1-iodoethenyl)pyrazine
SMILESC=C(I)c1cnccn1
InChIInChI=1S/C6H5IN2/c1-5(7)6-4-8-2-3-9-6/h2-4H,1H2
InChIKeyUCKQAOCJDLRRDY-UHFFFAOYSA-N
XLogP1.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.02
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyprop-1-en-2-yl)pyrazine
CID 67622452
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
pyrazine-2-carbothioic S-acid
CID 87249006
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139203790
N-[(2-methylpropan-2-yl)oxy]-1-pyrazin-2-ylethenamine
CID 91801976
2-[(E)-1-chloroprop-1-en-2-yl]pyrazine
CID 154700299
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
N-deuteriopyrazine-2-carboxamide
CID 175943999

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodoethenyl)pyrazine?
The IUPAC name of 2-(1-iodoethenyl)pyrazine (CID 122605916) is 2-(1-iodoethenyl)pyrazine.
What is the SMILES notation for 2-(1-iodoethenyl)pyrazine?
The canonical SMILES for 2-(1-iodoethenyl)pyrazine is C=C(I)c1cnccn1.
What is the InChIKey of 2-(1-iodoethenyl)pyrazine?
The InChIKey is UCKQAOCJDLRRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN2/c1-5(7)6-4-8-2-3-9-6/h2-4H,1H2.
What are the key properties of 2-(1-iodoethenyl)pyrazine?
2-(1-iodoethenyl)pyrazine has a molecular weight of 232.02 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoethenyl)pyrazine is sourced from PubChem (CID 122605916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).