(2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine

C8H10F3NO — CID 59864809

IUPAC(2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine
SMILESC[C@H]1C=C(OC(F)(F)F)C=CN1C
InChIInChI=1S/C8H10F3NO/c1-6-5-7(3-4-12(6)2)13-8(9,10)11/h3-6H,1-2H3/t6-/m0/s1
InChIKeyRNYLJRMZFYBDKV-LURJTMIESA-N
MW193.17 g/mol
LogP2.25
Rot. Bonds1

About (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine

(2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine (PubChem CID 59864809) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine
PubChem CID59864809
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine
SMILESC[C@H]1C=C(OC(F)(F)F)C=CN1C
InChIInChI=1S/C8H10F3NO/c1-6-5-7(3-4-12(6)2)13-8(9,10)11/h3-6H,1-2H3/t6-/m0/s1
InChIKeyRNYLJRMZFYBDKV-LURJTMIESA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine?
The IUPAC name of (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine (CID 59864809) is (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine.
What is the SMILES notation for (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine?
The canonical SMILES for (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine is C[C@H]1C=C(OC(F)(F)F)C=CN1C.
What is the InChIKey of (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine?
The InChIKey is RNYLJRMZFYBDKV-LURJTMIESA-N. The full InChI is InChI=1S/C8H10F3NO/c1-6-5-7(3-4-12(6)2)13-8(9,10)11/h3-6H,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine?
(2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine has a molecular weight of 193.17 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-4-(trifluoromethoxy)-2H-pyridine is sourced from PubChem (CID 59864809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).