2,3,5,6-tetrakis(chloromethyl)pyrazine

C8H8Cl4N2 — CID 14637616

IUPAC2,3,5,6-tetrakis(chloromethyl)pyrazine
SMILESClCc1nc(CCl)c(CCl)nc1CCl
InChIInChI=1S/C8H8Cl4N2/c9-1-5-6(2-10)14-8(4-12)7(3-11)13-5/h1-4H2
InChIKeyMAQHHIOUIMDDTD-UHFFFAOYSA-N
MW273.98 g/mol
LogP3.43
Rot. Bonds4

About 2,3,5,6-tetrakis(chloromethyl)pyrazine

2,3,5,6-tetrakis(chloromethyl)pyrazine (PubChem CID 14637616) has the molecular formula C8H8Cl4N2 and a molecular weight of 273.98 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(chloromethyl)pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis(chloromethyl)pyrazine
PubChem CID14637616
Molecular FormulaC8H8Cl4N2
Molecular Weight273.98 g/mol
Exact Mass271.94
IUPAC Name2,3,5,6-tetrakis(chloromethyl)pyrazine
SMILESClCc1nc(CCl)c(CCl)nc1CCl
InChIInChI=1S/C8H8Cl4N2/c9-1-5-6(2-10)14-8(4-12)7(3-11)13-5/h1-4H2
InChIKeyMAQHHIOUIMDDTD-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.98
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-3,5,6-trimethylpyrazine
CID 12600392
2-(Chloromethyl)-3,5,6-trimethylpyrazine
CID 14637615
2,5-Dichloro-3,6-dimethylpyrazine
CID 10877681
2,5-Bis(chloromethyl)-3,6-dimethylpyrazine
CID 4101773
2,6-Dichloro-3,5-dimethylpyrazine
CID 10487521
2,3-Bis(chloromethyl)-5,6-dimethylpyrazine
CID 70029556
2-Chloromethyl-3,5,6-trimethyl-pyrazine hydrochloride
CID 90018259
2-chloro-3,5,6-trimethyl(415N)pyrazine
CID 10419433
2,6-Bis(chloromethyl)-3,5-dimethylpyrazine
CID 129986429
2,6-Dichloro-3,5-bis(methyl-d3)pyrazine
CID 172405114
Nicotinamide impurity 20
CID 176483721

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(chloromethyl)pyrazine?
The IUPAC name of 2,3,5,6-tetrakis(chloromethyl)pyrazine (CID 14637616) is 2,3,5,6-tetrakis(chloromethyl)pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis(chloromethyl)pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis(chloromethyl)pyrazine is ClCc1nc(CCl)c(CCl)nc1CCl.
What is the InChIKey of 2,3,5,6-tetrakis(chloromethyl)pyrazine?
The InChIKey is MAQHHIOUIMDDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4N2/c9-1-5-6(2-10)14-8(4-12)7(3-11)13-5/h1-4H2.
What are the key properties of 2,3,5,6-tetrakis(chloromethyl)pyrazine?
2,3,5,6-tetrakis(chloromethyl)pyrazine has a molecular weight of 273.98 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(chloromethyl)pyrazine is sourced from PubChem (CID 14637616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).