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

C14H9F6NO — CID 134620714

IUPAC2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESCOc1nccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C14H9F6NO/c1-22-12-11(14(18,19)20)10(5-6-21-12)8-3-2-4-9(7-8)13(15,16)17/h2-7H,1H3
InChIKeyKQBDLUZMMKQCQQ-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.79
Rot. Bonds2

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

2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 134620714) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID134620714
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC Name2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
SMILESCOc1nccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C14H9F6NO/c1-22-12-11(14(18,19)20)10(5-6-21-12)8-3-2-4-9(7-8)13(15,16)17/h2-7H,1H3
InChIKeyKQBDLUZMMKQCQQ-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine (CID 134620714) is 2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine is COc1nccc(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F.
What is the InChIKey of 2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is KQBDLUZMMKQCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO/c1-22-12-11(14(18,19)20)10(5-6-21-12)8-3-2-4-9(7-8)13(15,16)17/h2-7H,1H3.
What are the key properties of 2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine?
2-methoxy-3-(trifluoromethyl)-4-[3-(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 2-methoxy-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134620714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).