4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine

C17H13F3N2O2S — CID 54011733

IUPAC4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine
SMILESCc1cc(OCc2cccs2)nc(Oc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F3N2O2S/c1-11-7-15(23-10-13-3-2-6-25-13)22-16(8-11)24-12-4-5-21-14(9-12)17(18,19)20/h2-9H,10H2,1H3
InChIKeyKSVLWKHISKGSCZ-UHFFFAOYSA-N
MW366.36 g/mol
LogP5.24
Rot. Bonds5

About 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine

4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine (PubChem CID 54011733) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine.

Molecular Properties

Compound Name4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine
PubChem CID54011733
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine
SMILESCc1cc(OCc2cccs2)nc(Oc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F3N2O2S/c1-11-7-15(23-10-13-3-2-6-25-13)22-16(8-11)24-12-4-5-21-14(9-12)17(18,19)20/h2-9H,10H2,1H3
InChIKeyKSVLWKHISKGSCZ-UHFFFAOYSA-N
XLogP5.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine?
The IUPAC name of 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine (CID 54011733) is 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine.
What is the SMILES notation for 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine?
The canonical SMILES for 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine is Cc1cc(OCc2cccs2)nc(Oc2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine?
The InChIKey is KSVLWKHISKGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-11-7-15(23-10-13-3-2-6-25-13)22-16(8-11)24-12-4-5-21-14(9-12)17(18,19)20/h2-9H,10H2,1H3.
What are the key properties of 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine?
4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine has a molecular weight of 366.36 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine is sourced from PubChem (CID 54011733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).