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

C14H9F6NO2 — CID 134631300

IUPAC6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2ccccc2OC(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C14H9F6NO2/c1-22-11-7-6-9(12(21-11)13(15,16)17)8-4-2-3-5-10(8)23-14(18,19)20/h2-7H,1H3
InChIKeyLQWPKEKKAYZYJE-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.67
Rot. Bonds3

About 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine

6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 134631300) has the molecular formula C14H9F6NO2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
PubChem CID134631300
Molecular FormulaC14H9F6NO2
Molecular Weight337.22 g/mol
Exact Mass337.05
IUPAC Name6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2ccccc2OC(F)(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C14H9F6NO2/c1-22-11-7-6-9(12(21-11)13(15,16)17)8-4-2-3-5-10(8)23-14(18,19)20/h2-7H,1H3
InChIKeyLQWPKEKKAYZYJE-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

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628399
4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 134623318
2-methoxy-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134620611
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
2-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134620790
2-fluoro-6-methoxy-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089531
3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 119025158
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine (CID 134631300) is 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine is COc1ccc(-c2ccccc2OC(F)(F)F)c(C(F)(F)F)n1.
What is the InChIKey of 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is LQWPKEKKAYZYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO2/c1-22-11-7-6-9(12(21-11)13(15,16)17)8-4-2-3-5-10(8)23-14(18,19)20/h2-7H,1H3.
What are the key properties of 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
6-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 6-methoxy-3-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134631300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).