3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine

C9H10F3NO2 — CID 22923742

IUPAC3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCOc1c(OCC(F)(F)F)ccnc1C
InChIInChI=1S/C9H10F3NO2/c1-6-8(14-2)7(3-4-13-6)15-5-9(10,11)12/h3-4H,5H2,1-2H3
InChIKeyXSCVMARLCDLFMW-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.34
Rot. Bonds3

About 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine

3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 22923742) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID22923742
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCOc1c(OCC(F)(F)F)ccnc1C
InChIInChI=1S/C9H10F3NO2/c1-6-8(14-2)7(3-4-13-6)15-5-9(10,11)12/h3-4H,5H2,1-2H3
InChIKeyXSCVMARLCDLFMW-UHFFFAOYSA-N
XLogP2.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine (CID 22923742) is 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine is COc1c(OCC(F)(F)F)ccnc1C.
What is the InChIKey of 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is XSCVMARLCDLFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-6-8(14-2)7(3-4-13-6)15-5-9(10,11)12/h3-4H,5H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 221.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 22923742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).