4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine

C14H9F6NO — CID 134628438

IUPAC4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(-c2ccccc2C(F)(F)F)ncc1C(F)(F)F
InChIInChI=1S/C14H9F6NO/c1-22-12-6-11(21-7-10(12)14(18,19)20)8-4-2-3-5-9(8)13(15,16)17/h2-7H,1H3
InChIKeyFIKSHDVAPQIQHR-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.79
Rot. Bonds2

About 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine

4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 134628438) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID134628438
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC Name4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(-c2ccccc2C(F)(F)F)ncc1C(F)(F)F
InChIInChI=1S/C14H9F6NO/c1-22-12-6-11(21-7-10(12)14(18,19)20)8-4-2-3-5-9(8)13(15,16)17/h2-7H,1H3
InChIKeyFIKSHDVAPQIQHR-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-5-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 141310764
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
4-methoxy-2,6-bis[2-(trifluoromethyl)phenyl]pyridine
CID 134618215
4-methoxy-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 134636540
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089617
3,4-dimethoxy-N-[6-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]benzenesulfonamide
CID 44632791
3-methoxy-2-nitro-6-[2-(trifluoromethyl)phenyl]pyridine
CID 134627087
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134629153
5-(2-methoxyphenyl)-3-(trifluoromethyl)pyridin-2-amine
CID 139370325
3-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine
CID 134627152

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine (CID 134628438) is 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine is COc1cc(-c2ccccc2C(F)(F)F)ncc1C(F)(F)F.
What is the InChIKey of 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is FIKSHDVAPQIQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO/c1-22-12-6-11(21-7-10(12)14(18,19)20)8-4-2-3-5-9(8)13(15,16)17/h2-7H,1H3.
What are the key properties of 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine?
4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 321.22 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134628438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).