4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine

C14H9F6NO2 — CID 134628399

IUPAC4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESCOc1ccnc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F6NO2/c1-22-10-6-7-21-12(13(15,16)17)11(10)8-4-2-3-5-9(8)23-14(18,19)20/h2-7H,1H3
InChIKeyVJPLIYIPOIUONQ-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.67
Rot. Bonds3

About 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine

4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 134628399) has the molecular formula C14H9F6NO2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
PubChem CID134628399
Molecular FormulaC14H9F6NO2
Molecular Weight337.22 g/mol
Exact Mass337.05
IUPAC Name4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESCOc1ccnc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H9F6NO2/c1-22-10-6-7-21-12(13(15,16)17)11(10)8-4-2-3-5-9(8)23-14(18,19)20/h2-7H,1H3
InChIKeyVJPLIYIPOIUONQ-UHFFFAOYSA-N
XLogP4.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134620613
6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134631300
2,4-dichloro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 134617905
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
methyl 3-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635680
1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
CID 18770174
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 134623318
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine (CID 134628399) is 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine is COc1ccnc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is VJPLIYIPOIUONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO2/c1-22-10-6-7-21-12(13(15,16)17)11(10)8-4-2-3-5-9(8)23-14(18,19)20/h2-7H,1H3.
What are the key properties of 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 337.22 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134628399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).