[(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C11H9F3N2O3 — CID 8893945

IUPAC[(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESC[C@H](C#N)OC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H9F3N2O3/c1-7(4-15)19-10(18)6-16-5-8(11(12,13)14)2-3-9(16)17/h2-3,5,7H,6H2,1H3/t7-/m1/s1
InChIKeySYJIUDRZKWPHCW-SSDOTTSWSA-N
MW274.20 g/mol
LogP1.32
Rot. Bonds3

About [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

[(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 8893945) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID8893945
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name[(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESC[C@H](C#N)OC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H9F3N2O3/c1-7(4-15)19-10(18)6-16-5-8(11(12,13)14)2-3-9(16)17/h2-3,5,7H,6H2,1H3/t7-/m1/s1
InChIKeySYJIUDRZKWPHCW-SSDOTTSWSA-N
XLogP1.32
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 8893945) is [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is C[C@H](C#N)OC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is SYJIUDRZKWPHCW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c1-7(4-15)19-10(18)6-16-5-8(11(12,13)14)2-3-9(16)17/h2-3,5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
[(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 274.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 8893945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).