4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine

C16H12F3NO2S2 — CID 54250660

IUPAC4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
SMILESCc1cc(OCc2cccs2)nc(Oc2csc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H12F3NO2S2/c1-10-5-14(21-8-12-3-2-4-23-12)20-15(6-10)22-11-7-13(24-9-11)16(17,18)19/h2-7,9H,8H2,1H3
InChIKeyQWMLFWHCSXUNBD-UHFFFAOYSA-N
MW371.41 g/mol
LogP5.90
Rot. Bonds5

About 4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine

4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine (PubChem CID 54250660) has the molecular formula C16H12F3NO2S2 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine.

Molecular Properties

Compound Name4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
PubChem CID54250660
Molecular FormulaC16H12F3NO2S2
Molecular Weight371.41 g/mol
Exact Mass371.03
IUPAC Name4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
SMILESCc1cc(OCc2cccs2)nc(Oc2csc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H12F3NO2S2/c1-10-5-14(21-8-12-3-2-4-23-12)20-15(6-10)22-11-7-13(24-9-11)16(17,18)19/h2-7,9H,8H2,1H3
InChIKeyQWMLFWHCSXUNBD-UHFFFAOYSA-N
XLogP5.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.41
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine
CID 54011733
2-chloro-6-(thiophen-2-ylmethoxy)-4-(trifluoromethyl)pyridine
CID 102715246
4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
CID 54203622
N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774376
N,4-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-2-amine
CID 80873043
2-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872816
4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
CID 15477077
3-methyl-5-(thiophen-2-ylmethoxy)phenol
CID 107680166
2-tert-butyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80962886
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carbonitrile
CID 114766908
4-chloro-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
CID 15477079
2-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80949557

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine?
The IUPAC name of 4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine (CID 54250660) is 4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine.
What is the SMILES notation for 4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine?
The canonical SMILES for 4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine is Cc1cc(OCc2cccs2)nc(Oc2csc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine?
The InChIKey is QWMLFWHCSXUNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2S2/c1-10-5-14(21-8-12-3-2-4-23-12)20-15(6-10)22-11-7-13(24-9-11)16(17,18)19/h2-7,9H,8H2,1H3.
What are the key properties of 4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine?
4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine has a molecular weight of 371.41 g/mol, XLogP of 5.90, 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-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine is sourced from PubChem (CID 54250660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).