5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one

C15H15F3N2O2 — CID 90979929

IUPAC5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1ccc(OCCc2ccc(=O)n(CC(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2O2/c1-11-2-4-13(19-8-11)22-7-6-12-3-5-14(21)20(9-12)10-15(16,17)18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBZJKOIZDTXEZAQ-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.74
Rot. Bonds5

About 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one

5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 90979929) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID90979929
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1ccc(OCCc2ccc(=O)n(CC(F)(F)F)c2)nc1
InChIInChI=1S/C15H15F3N2O2/c1-11-2-4-13(19-8-11)22-7-6-12-3-5-14(21)20(9-12)10-15(16,17)18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyBZJKOIZDTXEZAQ-UHFFFAOYSA-N
XLogP2.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,2,2-Trifluoroethoxy)nicotinamide
CID 2727208
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
Butyl 2-pyridyl ether
CID 95701
N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
N3,N3-dimethyl-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 2727209
Piperidine-1-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635895
2-(2,2,2-Trifluoroethoxy)nicotinamide
CID 2727183
2-(2-Pyridyloxy)ethyl(dimethyl)amine
CID 96499
US11045457, Example 110
CID 146401856
US11045457, Example 33
CID 146422009
2-Methoxy-3-(trifluoromethyl)pyridine
CID 2775309

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 90979929) is 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one is Cc1ccc(OCCc2ccc(=O)n(CC(F)(F)F)c2)nc1.
What is the InChIKey of 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is BZJKOIZDTXEZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-11-2-4-13(19-8-11)22-7-6-12-3-5-14(21)20(9-12)10-15(16,17)18/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 312.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 90979929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).