2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine

C12H7F6N3 — CID 158536162

IUPAC2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine
SMILESCc1cc(-c2cncc(C(F)(F)F)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H7F6N3/c1-6-2-7(3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18/h2-5H,1H3
InChIKeyJWNLAQOLGQIGIF-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.88
Rot. Bonds1

About 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine

2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine (PubChem CID 158536162) has the molecular formula C12H7F6N3 and a molecular weight of 307.20 g/mol. Its IUPAC name is 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine
PubChem CID158536162
Molecular FormulaC12H7F6N3
Molecular Weight307.20 g/mol
Exact Mass307.05
IUPAC Name2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine
SMILESCc1cc(-c2cncc(C(F)(F)F)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H7F6N3/c1-6-2-7(3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18/h2-5H,1H3
InChIKeyJWNLAQOLGQIGIF-UHFFFAOYSA-N
XLogP3.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine (CID 158536162) is 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine is Cc1cc(-c2cncc(C(F)(F)F)n2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine?
The InChIKey is JWNLAQOLGQIGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3/c1-6-2-7(3-9(20-6)11(13,14)15)8-4-19-5-10(21-8)12(16,17)18/h2-5H,1H3.
What are the key properties of 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine?
2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine has a molecular weight of 307.20 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 158536162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).