6-(Pyridin-3-yl)quinolin-2(1H)-one
Basic information
- CAS
99470-74-3- Standard SMILES
O=c1ccc2ccc(-c3cccnc3)cc2[nH]1- InChIKey
PEUXMBIVSFTKEH-UHFFFAOYSA-N- Molecular formula
- C14H10N2O
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.07931295
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-(Pyridin-3-yl)quinolin-2(1H)-one
- IUPAC
- 7-pyridin-3-yl-1H-quinolin-2-one
- English name
- 6-(pyridin-3-yl)quinolin-2(1H)-one
- Molecular formula
- C14H10N2O
- Molecular weight
- 222.24
Names & synonyms
UK-57,400RefChem:1041196-(Pyridin-3-yl)quinolin-2(1H)-one99470-74-37-(pyridin-3-yl)quinolin-2-ol7-Pyridin-3-yl-1H-quinolin-2-oneCHEMBL302853SCHEMBL17067225DTXSID009126942(1H)-Quinolinone, 6-(3-pyridinyl)-UK 57,4006-(3-pyridyl)-2-(1H)-quinolone
Database identifiers
- CAS
99470-74-3- PubChem CID
- 127342
- DTXSID
DTXSID00912694- ChEMBL
CHEMBL302853
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 487.373 · 487.373±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.323 · 11.323±0.70(predicted)
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Related reactions
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Compound notes
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