2-methoxy-5-(trifluoromethyl)pyrazine

C6H5F3N2O — CID 91884480

IUPAC2-methoxy-5-(trifluoromethyl)pyrazine
SMILESCOc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2O/c1-12-5-3-10-4(2-11-5)6(7,8)9/h2-3H,1H3
InChIKeyGOYFQRQKJCAXEX-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.50
Rot. Bonds1

About 2-methoxy-5-(trifluoromethyl)pyrazine

2-methoxy-5-(trifluoromethyl)pyrazine (PubChem CID 91884480) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-methoxy-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-methoxy-5-(trifluoromethyl)pyrazine
PubChem CID91884480
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2-methoxy-5-(trifluoromethyl)pyrazine
SMILESCOc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C6H5F3N2O/c1-12-5-3-10-4(2-11-5)6(7,8)9/h2-3H,1H3
InChIKeyGOYFQRQKJCAXEX-UHFFFAOYSA-N
XLogP1.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-methoxy-5-(trifluoromethyl)pyrazine (CID 91884480) is 2-methoxy-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-methoxy-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-methoxy-5-(trifluoromethyl)pyrazine is COc1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-methoxy-5-(trifluoromethyl)pyrazine?
The InChIKey is GOYFQRQKJCAXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-12-5-3-10-4(2-11-5)6(7,8)9/h2-3H,1H3.
What are the key properties of 2-methoxy-5-(trifluoromethyl)pyrazine?
2-methoxy-5-(trifluoromethyl)pyrazine has a molecular weight of 178.11 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 91884480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).