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

C15H10F3NOS2 — CID 54195812

IUPAC3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
SMILESCc1ccc(Oc2csc(C(F)(F)F)c2)nc1-c1ccsc1
InChIInChI=1S/C15H10F3NOS2/c1-9-2-3-13(19-14(9)10-4-5-21-7-10)20-11-6-12(22-8-11)15(16,17)18/h2-8H,1H3
InChIKeyPLRYOHQLBGBFDH-UHFFFAOYSA-N
MW341.38 g/mol
LogP5.99
Rot. Bonds3

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

3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine (PubChem CID 54195812) has the molecular formula C15H10F3NOS2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine.

Molecular Properties

Compound Name3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
PubChem CID54195812
Molecular FormulaC15H10F3NOS2
Molecular Weight341.38 g/mol
Exact Mass341.02
IUPAC Name3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
SMILESCc1ccc(Oc2csc(C(F)(F)F)c2)nc1-c1ccsc1
InChIInChI=1S/C15H10F3NOS2/c1-9-2-3-13(19-14(9)10-4-5-21-7-10)20-11-6-12(22-8-11)15(16,17)18/h2-8H,1H3
InChIKeyPLRYOHQLBGBFDH-UHFFFAOYSA-N
XLogP5.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.38
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine?
The IUPAC name of 3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine (CID 54195812) is 3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine.
What is the SMILES notation for 3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine?
The canonical SMILES for 3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine is Cc1ccc(Oc2csc(C(F)(F)F)c2)nc1-c1ccsc1.
What is the InChIKey of 3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine?
The InChIKey is PLRYOHQLBGBFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS2/c1-9-2-3-13(19-14(9)10-4-5-21-7-10)20-11-6-12(22-8-11)15(16,17)18/h2-8H,1H3.
What are the key properties of 3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine?
3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine has a molecular weight of 341.38 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine is sourced from PubChem (CID 54195812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).