(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate

C15H13NO3 — CID 11780090

IUPAC(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
SMILESCC(=O)OC(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H13NO3/c1-11(17)19-15(13-9-5-6-10-16-13)14(18)12-7-3-2-4-8-12/h2-10,15H,1H3
InChIKeyCVZKQAVOTZJEND-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.57
Rot. Bonds4

About (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate

(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate (PubChem CID 11780090) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate.

Molecular Properties

Compound Name(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
PubChem CID11780090
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
SMILESCC(=O)OC(C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H13NO3/c1-11(17)19-15(13-9-5-6-10-16-13)14(18)12-7-3-2-4-8-12/h2-10,15H,1H3
InChIKeyCVZKQAVOTZJEND-UHFFFAOYSA-N
XLogP2.57
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193
[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate
CID 11266944
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] acetate
CID 2754201
lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide
CID 174704336
(2,3-diacetyloxy-3-pyridin-2-ylpropyl) acetate
CID 134835456
[(1S)-2-diethoxyphosphoryl-1-pyridin-2-ylethyl] acetate
CID 11255066
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
1-phenyl-3-phenylimino-2-pyridin-2-ylpropan-1-one
CID 91190415
2-methoxy-1,2-diphenylethanone;1-phenylethanone
CID 159117865
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
(3-hydroxy-2-pyridin-2-ylpropyl) acetate
CID 22101011

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate?
The IUPAC name of (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate (CID 11780090) is (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate.
What is the SMILES notation for (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate?
The canonical SMILES for (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate is CC(=O)OC(C(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate?
The InChIKey is CVZKQAVOTZJEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11(17)19-15(13-9-5-6-10-16-13)14(18)12-7-3-2-4-8-12/h2-10,15H,1H3.
What are the key properties of (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate?
(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate has a molecular weight of 255.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate is sourced from PubChem (CID 11780090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).