2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine

C17H12F3N3OS — CID 169108499

IUPAC2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine
SMILESCOc1ccc(-c2nccnc2Sc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H12F3N3OS/c1-24-14-7-2-11(10-23-14)15-16(22-9-8-21-15)25-13-5-3-12(4-6-13)17(18,19)20/h2-10H,1H3
InChIKeyQJNJRXFBAXCWAD-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.72
Rot. Bonds4

About 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine

2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine (PubChem CID 169108499) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine
PubChem CID169108499
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine
SMILESCOc1ccc(-c2nccnc2Sc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C17H12F3N3OS/c1-24-14-7-2-11(10-23-14)15-16(22-9-8-21-15)25-13-5-3-12(4-6-13)17(18,19)20/h2-10H,1H3
InChIKeyQJNJRXFBAXCWAD-UHFFFAOYSA-N
XLogP4.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine (CID 169108499) is 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine is COc1ccc(-c2nccnc2Sc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine?
The InChIKey is QJNJRXFBAXCWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c1-24-14-7-2-11(10-23-14)15-16(22-9-8-21-15)25-13-5-3-12(4-6-13)17(18,19)20/h2-10H,1H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine?
2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine has a molecular weight of 363.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine is sourced from PubChem (CID 169108499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).