2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine

C7H6ClF3N2 — CID 84677981

IUPAC2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine
SMILESCc1nc(Cl)c(C(F)(F)F)nc1C
InChIInChI=1S/C7H6ClF3N2/c1-3-4(2)13-6(8)5(12-3)7(9,10)11/h1-2H3
InChIKeyKGKJBCYYXMUICU-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.77
Rot. Bonds

About 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine

2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine (PubChem CID 84677981) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine
PubChem CID84677981
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine
SMILESCc1nc(Cl)c(C(F)(F)F)nc1C
InChIInChI=1S/C7H6ClF3N2/c1-3-4(2)13-6(8)5(12-3)7(9,10)11/h1-2H3
InChIKeyKGKJBCYYXMUICU-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine?
The IUPAC name of 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine (CID 84677981) is 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine is Cc1nc(Cl)c(C(F)(F)F)nc1C.
What is the InChIKey of 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine?
The InChIKey is KGKJBCYYXMUICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c1-3-4(2)13-6(8)5(12-3)7(9,10)11/h1-2H3.
What are the key properties of 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine?
2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine has a molecular weight of 210.59 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-3-(trifluoromethyl)pyrazine is sourced from PubChem (CID 84677981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).