2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine

C11H12F3NO2 — CID 166817822

IUPAC2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine
SMILESC=C(OC)[C@@H](Oc1cccc(C)n1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7-5-4-6-9(15-7)17-10(8(2)16-3)11(12,13)14/h4-6,10H,2H2,1,3H3/t10-/m1/s1
InChIKeyBZQMAUQIFPKGAX-SNVBAGLBSA-N
MW247.22 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine

2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine (PubChem CID 166817822) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine.

Molecular Properties

Compound Name2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine
PubChem CID166817822
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine
SMILESC=C(OC)[C@@H](Oc1cccc(C)n1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7-5-4-6-9(15-7)17-10(8(2)16-3)11(12,13)14/h4-6,10H,2H2,1,3H3/t10-/m1/s1
InChIKeyBZQMAUQIFPKGAX-SNVBAGLBSA-N
XLogP2.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine?
The IUPAC name of 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine (CID 166817822) is 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine.
What is the SMILES notation for 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine?
The canonical SMILES for 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine is C=C(OC)[C@@H](Oc1cccc(C)n1)C(F)(F)F.
What is the InChIKey of 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine?
The InChIKey is BZQMAUQIFPKGAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7-5-4-6-9(15-7)17-10(8(2)16-3)11(12,13)14/h4-6,10H,2H2,1,3H3/t10-/m1/s1.
What are the key properties of 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine?
2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine has a molecular weight of 247.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2R)-1,1,1-trifluoro-3-methoxybut-3-en-2-yl]oxypyridine is sourced from PubChem (CID 166817822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).