5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine

C15H11F6NO3 — CID 170311859

IUPAC5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(C)c1
InChIInChI=1S/C15H11F6NO3/c1-8-5-10(7-22-13(8)14(16,17)18)24-11-4-3-9(6-12(11)23-2)25-15(19,20)21/h3-7H,1-2H3
InChIKeyVSLXMCCNPZHUBH-UHFFFAOYSA-N
MW367.25 g/mol
LogP5.11
Rot. Bonds4

About 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine

5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine (PubChem CID 170311859) has the molecular formula C15H11F6NO3 and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine
PubChem CID170311859
Molecular FormulaC15H11F6NO3
Molecular Weight367.25 g/mol
Exact Mass367.06
IUPAC Name5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(C)c1
InChIInChI=1S/C15H11F6NO3/c1-8-5-10(7-22-13(8)14(16,17)18)24-11-4-3-9(6-12(11)23-2)25-15(19,20)21/h3-7H,1-2H3
InChIKeyVSLXMCCNPZHUBH-UHFFFAOYSA-N
XLogP5.11
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine
CID 170311860
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
5-cyclopropyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-6-(trifluoromethyl)pyridine
CID 154644952
5-[[5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyrimidine-2-carboxamide
CID 154645430
3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 137406655
methyl 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 137406864
N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
CID 154645452
3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carbonyl chloride;3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162050583
N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
methyl 6-(2-hydroxypropan-2-yl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxylate
CID 137406753
4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-(2-methylcyclopropyl)pyridine-3-carboxylic acid
CID 137406464

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine (CID 170311859) is 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine is COc1cc(OC(F)(F)F)ccc1Oc1cnc(C(F)(F)F)c(C)c1.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is VSLXMCCNPZHUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO3/c1-8-5-10(7-22-13(8)14(16,17)18)24-11-4-3-9(6-12(11)23-2)25-15(19,20)21/h3-7H,1-2H3.
What are the key properties of 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine?
5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 367.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 170311859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).