2-(iodomethyl)pyrazine

C5H5IN2 — CID 21189711

IUPAC2-(iodomethyl)pyrazine
SMILESICc1cnccn1
InChIInChI=1S/C5H5IN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
InChIKeyZNCLVHLGXFXQBZ-UHFFFAOYSA-N
MW220.01 g/mol
LogP1.41
Rot. Bonds1

About 2-(iodomethyl)pyrazine

2-(iodomethyl)pyrazine (PubChem CID 21189711) has the molecular formula C5H5IN2 and a molecular weight of 220.01 g/mol. Its IUPAC name is 2-(iodomethyl)pyrazine.

Molecular Properties

Compound Name2-(iodomethyl)pyrazine
PubChem CID21189711
Molecular FormulaC5H5IN2
Molecular Weight220.01 g/mol
Exact Mass219.95
IUPAC Name2-(iodomethyl)pyrazine
SMILESICc1cnccn1
InChIInChI=1S/C5H5IN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
InChIKeyZNCLVHLGXFXQBZ-UHFFFAOYSA-N
XLogP1.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.01
LogP ≤ 51.41
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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Related Compounds

1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
2-pyrazin-2-ylacetic acid
CID 19797048
2-(4-chlorobutyl)pyrazine
CID 54142215
(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol
CID 44514042
2-methyl-1-pyrazin-2-ylpropan-2-amine
CID 82594901
1-methyl-1-(pyrazin-2-ylmethyl)hydrazine
CID 169495103
N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine
CID 71362661
(NE)-N-(2-pyrazin-2-ylethylidene)hydroxylamine
CID 15271619
13-pyrazin-2-yltridecan-1-ol
CID 11437411
2-(pyrazin-2-ylmethylsulfanyl)ethanol
CID 43502622
6-pyrazin-2-ylhexan-1-ol
CID 171785041
(NZ)-N-(2-pyrazin-2-ylethylidene)hydroxylamine
CID 10725399

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)pyrazine?
The IUPAC name of 2-(iodomethyl)pyrazine (CID 21189711) is 2-(iodomethyl)pyrazine.
What is the SMILES notation for 2-(iodomethyl)pyrazine?
The canonical SMILES for 2-(iodomethyl)pyrazine is ICc1cnccn1.
What is the InChIKey of 2-(iodomethyl)pyrazine?
The InChIKey is ZNCLVHLGXFXQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2.
What are the key properties of 2-(iodomethyl)pyrazine?
2-(iodomethyl)pyrazine has a molecular weight of 220.01 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)pyrazine is sourced from PubChem (CID 21189711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).