3,4-dimethoxy-2-(trifluoromethyl)pyridine

C8H8F3NO2 — CID 69022865

IUPAC3,4-dimethoxy-2-(trifluoromethyl)pyridine
SMILESCOc1ccnc(C(F)(F)F)c1OC
InChIInChI=1S/C8H8F3NO2/c1-13-5-3-4-12-7(6(5)14-2)8(9,10)11/h3-4H,1-2H3
InChIKeyJVUSURQEVGGTIU-UHFFFAOYSA-N
MW207.15 g/mol
LogP2.12
Rot. Bonds2

About 3,4-dimethoxy-2-(trifluoromethyl)pyridine

3,4-dimethoxy-2-(trifluoromethyl)pyridine (PubChem CID 69022865) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3,4-dimethoxy-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3,4-dimethoxy-2-(trifluoromethyl)pyridine
PubChem CID69022865
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3,4-dimethoxy-2-(trifluoromethyl)pyridine
SMILESCOc1ccnc(C(F)(F)F)c1OC
InChIInChI=1S/C8H8F3NO2/c1-13-5-3-4-12-7(6(5)14-2)8(9,10)11/h3-4H,1-2H3
InChIKeyJVUSURQEVGGTIU-UHFFFAOYSA-N
XLogP2.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-(trifluoromethyl)pyridine?
The IUPAC name of 3,4-dimethoxy-2-(trifluoromethyl)pyridine (CID 69022865) is 3,4-dimethoxy-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3,4-dimethoxy-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3,4-dimethoxy-2-(trifluoromethyl)pyridine is COc1ccnc(C(F)(F)F)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-(trifluoromethyl)pyridine?
The InChIKey is JVUSURQEVGGTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-13-5-3-4-12-7(6(5)14-2)8(9,10)11/h3-4H,1-2H3.
What are the key properties of 3,4-dimethoxy-2-(trifluoromethyl)pyridine?
3,4-dimethoxy-2-(trifluoromethyl)pyridine has a molecular weight of 207.15 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 69022865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).