[(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

C22H18F3NO5 — CID 54728548

IUPAC[(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SMILESCO[C@@](C(=O)O[C@H](c1ccccc1)c1cc(O)cc(=O)[nH]1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H18F3NO5/c1-30-21(22(23,24)25,15-10-6-3-7-11-15)20(29)31-19(14-8-4-2-5-9-14)17-12-16(27)13-18(28)26-17/h2-13,19H,1H3,(H2,26,27,28)/t19-,21-/m1/s1
InChIKeyIPZGYTIRXMTORY-TZIWHRDSSA-N
MW433.38 g/mol
LogP3.82
Rot. Bonds6

About [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

[(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (PubChem CID 54728548) has the molecular formula C22H18F3NO5 and a molecular weight of 433.38 g/mol. Its IUPAC name is [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.

Molecular Properties

Compound Name[(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
PubChem CID54728548
Molecular FormulaC22H18F3NO5
Molecular Weight433.38 g/mol
Exact Mass433.11
IUPAC Name[(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SMILESCO[C@@](C(=O)O[C@H](c1ccccc1)c1cc(O)cc(=O)[nH]1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C22H18F3NO5/c1-30-21(22(23,24)25,15-10-6-3-7-11-15)20(29)31-19(14-8-4-2-5-9-14)17-12-16(27)13-18(28)26-17/h2-13,19H,1H3,(H2,26,27,28)/t19-,21-/m1/s1
InChIKeyIPZGYTIRXMTORY-TZIWHRDSSA-N
XLogP3.82
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

[(S)-(2-fluorophenyl)-phenylmethyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 23237782
[(2S)-2-bromo-2-deuterio-1-phenylethyl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 71507179
butan-2-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 13395967
[(1R)-1-[6-[(1R)-1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxyethyl]-2-pyridinyl]ethyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10257996
methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropaneperoxoate
CID 87992378
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560
[(3S,5S)-5-hydroxyhexan-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 15449917
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 67717201
[(2R)-1,1-difluoro-4-phenylbutan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 102428021
(triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 69259754
potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 102071595
[(2R)-1,1,1-trifluorooctan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 102428011

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The IUPAC name of [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (CID 54728548) is [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.
What is the SMILES notation for [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The canonical SMILES for [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is CO[C@@](C(=O)O[C@H](c1ccccc1)c1cc(O)cc(=O)[nH]1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The InChIKey is IPZGYTIRXMTORY-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H18F3NO5/c1-30-21(22(23,24)25,15-10-6-3-7-11-15)20(29)31-19(14-8-4-2-5-9-14)17-12-16(27)13-18(28)26-17/h2-13,19H,1H3,(H2,26,27,28)/t19-,21-/m1/s1.
What are the key properties of [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
[(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate has a molecular weight of 433.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-hydroxy-6-oxo-1H-pyridin-2-yl)-phenylmethyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is sourced from PubChem (CID 54728548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).