3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate

C15H14NO2- — CID 102184338

IUPAC3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate
SMILESCC(=O)CC([O-])(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H14NO2/c1-12(17)11-15(18,13-7-3-2-4-8-13)14-9-5-6-10-16-14/h2-10H,11H2,1H3/q-1
InChIKeyYSFSCAMKUSFZCR-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.66
Rot. Bonds4

About 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate

3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate (PubChem CID 102184338) has the molecular formula C15H14NO2- and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate.

Molecular Properties

Compound Name3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate
PubChem CID102184338
Molecular FormulaC15H14NO2-
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate
SMILESCC(=O)CC([O-])(c1ccccc1)c1ccccn1
InChIInChI=1S/C15H14NO2/c1-12(17)11-15(18,13-7-3-2-4-8-13)14-9-5-6-10-16-14/h2-10H,11H2,1H3/q-1
InChIKeyYSFSCAMKUSFZCR-UHFFFAOYSA-N
XLogP1.66
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-1,1-diphenylbutan-1-olate
CID 101443170
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide
CID 57038231
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619
copper;bis(dipyridin-2-ylmethanediol);diacetate;tetrahydrate
CID 139065937
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid
CID 10632775
(1S)-2-nitro-1-phenyl-1-pyridin-2-ylethanol
CID 139167628
4-methyl-4-pyridin-2-ylpentanoic acid
CID 10655411

Frequently Asked Questions

What is the IUPAC name of 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate?
The IUPAC name of 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate (CID 102184338) is 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate.
What is the SMILES notation for 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate?
The canonical SMILES for 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate is CC(=O)CC([O-])(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate?
The InChIKey is YSFSCAMKUSFZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO2/c1-12(17)11-15(18,13-7-3-2-4-8-13)14-9-5-6-10-16-14/h2-10H,11H2,1H3/q-1.
What are the key properties of 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate?
3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate has a molecular weight of 240.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate is sourced from PubChem (CID 102184338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).