4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine

C18H14F3NOS — CID 54294778

IUPAC4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(Oc2ccc(C)s2)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H14F3NOS/c1-11-9-15(13-4-6-14(7-5-13)18(19,20)21)22-16(10-11)23-17-8-3-12(2)24-17/h3-10H,1-2H3
InChIKeyHEMRDVSXHYGQPK-UHFFFAOYSA-N
MW349.38 g/mol
LogP6.24
Rot. Bonds3

About 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine

4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 54294778) has the molecular formula C18H14F3NOS and a molecular weight of 349.38 g/mol. Its IUPAC name is 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID54294778
Molecular FormulaC18H14F3NOS
Molecular Weight349.38 g/mol
Exact Mass349.07
IUPAC Name4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(Oc2ccc(C)s2)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H14F3NOS/c1-11-9-15(13-4-6-14(7-5-13)18(19,20)21)22-16(10-11)23-17-8-3-12(2)24-17/h3-10H,1-2H3
InChIKeyHEMRDVSXHYGQPK-UHFFFAOYSA-N
XLogP6.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-4-(4-methylphenyl)-6-(2-thienyl)nicotinonitrile
CID 698201
rac-2-(3-(1-(6-methoxypyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11530223
2-[(4-Phenylphenyl)methoxy]-6-(trifluoromethyl)pyridine
CID 172436070
2-Phenoxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 102190448
2-(4-Methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine
CID 102491049
4-Fluorothiophenoxyquinoline
CID 129886513
6-Phenyl-3-(p-tolyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 138757094
2-Methoxy-6-(3-thienyl)pyridine
CID 49761849
2-(1-Benzothiophen-2-yl)-6-methoxypyridine
CID 57543413
2-Methoxy-6-thiophen-2-ylpyridine
CID 101503637
2-(2-Phenoxyethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 1717782
2-(4-Methoxyphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10498715

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine (CID 54294778) is 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine is Cc1cc(Oc2ccc(C)s2)nc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is HEMRDVSXHYGQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NOS/c1-11-9-15(13-4-6-14(7-5-13)18(19,20)21)22-16(10-11)23-17-8-3-12(2)24-17/h3-10H,1-2H3.
What are the key properties of 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine?
4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 349.38 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 54294778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).