2,3-bis(trichloromethyl)pyrazine

C6H2Cl6N2 — CID 141158483

IUPAC2,3-bis(trichloromethyl)pyrazine
SMILESClC(Cl)(Cl)c1nccnc1C(Cl)(Cl)Cl
InChIInChI=1S/C6H2Cl6N2/c7-5(8,9)3-4(6(10,11)12)14-2-1-13-3/h1-2H
InChIKeyCZZMEGURXPALPI-UHFFFAOYSA-N
MW314.81 g/mol
LogP4.13
Rot. Bonds

About 2,3-bis(trichloromethyl)pyrazine

2,3-bis(trichloromethyl)pyrazine (PubChem CID 141158483) has the molecular formula C6H2Cl6N2 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2,3-bis(trichloromethyl)pyrazine.

Molecular Properties

Compound Name2,3-bis(trichloromethyl)pyrazine
PubChem CID141158483
Molecular FormulaC6H2Cl6N2
Molecular Weight314.81 g/mol
Exact Mass311.83
IUPAC Name2,3-bis(trichloromethyl)pyrazine
SMILESClC(Cl)(Cl)c1nccnc1C(Cl)(Cl)Cl
InChIInChI=1S/C6H2Cl6N2/c7-5(8,9)3-4(6(10,11)12)14-2-1-13-3/h1-2H
InChIKeyCZZMEGURXPALPI-UHFFFAOYSA-N
XLogP4.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trichloromethyl)pyrazine?
The IUPAC name of 2,3-bis(trichloromethyl)pyrazine (CID 141158483) is 2,3-bis(trichloromethyl)pyrazine.
What is the SMILES notation for 2,3-bis(trichloromethyl)pyrazine?
The canonical SMILES for 2,3-bis(trichloromethyl)pyrazine is ClC(Cl)(Cl)c1nccnc1C(Cl)(Cl)Cl.
What is the InChIKey of 2,3-bis(trichloromethyl)pyrazine?
The InChIKey is CZZMEGURXPALPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl6N2/c7-5(8,9)3-4(6(10,11)12)14-2-1-13-3/h1-2H.
What are the key properties of 2,3-bis(trichloromethyl)pyrazine?
2,3-bis(trichloromethyl)pyrazine has a molecular weight of 314.81 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trichloromethyl)pyrazine is sourced from PubChem (CID 141158483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).