2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine

C18H26F5N3O2 — CID 142379196

IUPAC2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine
SMILESCC.CC.Cc1ccc(OC(F)(F)F)cn1.Cc1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H6F3NO.C7H8F2N2O.2C2H6/c1-5-2-3-6(4-11-5)12-7(8,9)10;1-5-2-11-7(3-10-5)12-4-6(8)9;2*1-2/h2-4H,1H3;2-3,6H,4H2,1H3;2*1-2H3
InChIKeyGUMINVJLMLFBJG-UHFFFAOYSA-N
MW411.42 g/mol
LogP5.77
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine

2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine (PubChem CID 142379196) has the molecular formula C18H26F5N3O2 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine
PubChem CID142379196
Molecular FormulaC18H26F5N3O2
Molecular Weight411.42 g/mol
Exact Mass411.19
IUPAC Name2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine
SMILESCC.CC.Cc1ccc(OC(F)(F)F)cn1.Cc1cnc(OCC(F)F)cn1
InChIInChI=1S/C7H6F3NO.C7H8F2N2O.2C2H6/c1-5-2-3-6(4-11-5)12-7(8,9)10;1-5-2-11-7(3-10-5)12-4-6(8)9;2*1-2/h2-4H,1H3;2-3,6H,4H2,1H3;2*1-2H3
InChIKeyGUMINVJLMLFBJG-UHFFFAOYSA-N
XLogP5.77
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pilavapadin
CID 118419773
Pyridine, 5-amino-2,3'-oxydi-
CID 2800156
2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-pyridine
CID 11174563
5-[5-[(6-Carbamimidoyl-3-pyridinyl)oxy]pentoxy]pyridine-2-carboximidamide
CID 44220277
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
3-Pyridyl ether
CID 598975
2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10560219
4-[5-(3-Piperidin-1-yl-propoxy)-pyridin-2-ylmethyl]-morpholine
CID 11638322
2-Methyl-5-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyridine
CID 44318904
Dimethyl-[2-(6-methyl-pyridin-3-yloxy)-ethyl]-amine
CID 44340957

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine (CID 142379196) is 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine is CC.CC.Cc1ccc(OC(F)(F)F)cn1.Cc1cnc(OCC(F)F)cn1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine?
The InChIKey is GUMINVJLMLFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.C7H8F2N2O.2C2H6/c1-5-2-3-6(4-11-5)12-7(8,9)10;1-5-2-11-7(3-10-5)12-4-6(8)9;2*1-2/h2-4H,1H3;2-3,6H,4H2,1H3;2*1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine?
2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine has a molecular weight of 411.42 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-5-methylpyrazine;ethane;2-methyl-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 142379196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).