2-methyl-5-(2,2,2-trifluoroethoxy)pyridine

C8H8F3NO — CID 23568433

IUPAC2-methyl-5-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C8H8F3NO/c1-6-2-3-7(4-12-6)13-5-8(9,10)11/h2-4H,5H2,1H3
InChIKeyIODBYQLNMHFIQR-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.33
Rot. Bonds2

About 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine

2-methyl-5-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 23568433) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethoxy)pyridine
PubChem CID23568433
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name2-methyl-5-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C8H8F3NO/c1-6-2-3-7(4-12-6)13-5-8(9,10)11/h2-4H,5H2,1H3
InChIKeyIODBYQLNMHFIQR-UHFFFAOYSA-N
XLogP2.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine (CID 23568433) is 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine is Cc1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is IODBYQLNMHFIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-6-2-3-7(4-12-6)13-5-8(9,10)11/h2-4H,5H2,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine?
2-methyl-5-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 191.15 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 23568433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).