1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine

C9H12F3NO — CID 174885718

IUPAC1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine
SMILESCOCCN1C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C9H12F3NO/c1-14-6-5-13-4-2-3-8(7-13)9(10,11)12/h2-3,7H,4-6H2,1H3
InChIKeyWVAZEJVRTFDDEY-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.95
Rot. Bonds3

About 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine

1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine (PubChem CID 174885718) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine
PubChem CID174885718
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine
SMILESCOCCN1C=C(C(F)(F)F)C=CC1
InChIInChI=1S/C9H12F3NO/c1-14-6-5-13-4-2-3-8(7-13)9(10,11)12/h2-3,7H,4-6H2,1H3
InChIKeyWVAZEJVRTFDDEY-UHFFFAOYSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine (CID 174885718) is 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine is COCCN1C=C(C(F)(F)F)C=CC1.
What is the InChIKey of 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine?
The InChIKey is WVAZEJVRTFDDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-14-6-5-13-4-2-3-8(7-13)9(10,11)12/h2-3,7H,4-6H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine?
1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine has a molecular weight of 207.19 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 174885718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).