(2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine

C7H8F3NO — CID 69225666

IUPAC(2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine
SMILESCO[C@]1(C(F)(F)F)C=CC=CN1
InChIInChI=1S/C7H8F3NO/c1-12-6(7(8,9)10)4-2-3-5-11-6/h2-5,11H,1H3/t6-/m0/s1
InChIKeyQIRCQMIXUKTGIM-LURJTMIESA-N
MW179.14 g/mol
LogP1.56
Rot. Bonds1

About (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine

(2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine (PubChem CID 69225666) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine.

Molecular Properties

Compound Name(2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine
PubChem CID69225666
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name(2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine
SMILESCO[C@]1(C(F)(F)F)C=CC=CN1
InChIInChI=1S/C7H8F3NO/c1-12-6(7(8,9)10)4-2-3-5-11-6/h2-5,11H,1H3/t6-/m0/s1
InChIKeyQIRCQMIXUKTGIM-LURJTMIESA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine?
The IUPAC name of (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine (CID 69225666) is (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine.
What is the SMILES notation for (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine?
The canonical SMILES for (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine is CO[C@]1(C(F)(F)F)C=CC=CN1.
What is the InChIKey of (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine?
The InChIKey is QIRCQMIXUKTGIM-LURJTMIESA-N. The full InChI is InChI=1S/C7H8F3NO/c1-12-6(7(8,9)10)4-2-3-5-11-6/h2-5,11H,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine?
(2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine has a molecular weight of 179.14 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-(trifluoromethyl)-1H-pyridine is sourced from PubChem (CID 69225666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).