2-(4,6-dimethyl-1H-pyridin-2-ylidene)indene-1,3-dione
Basic information
- CAS
75997-84-1- Standard SMILES
Cc1cc(C)nc(C2=C(O)c3ccccc3C2=O)c1- InChIKey
YUJPOQYPIAYVGY-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- 2-(4,6-dimethyl-1H-pyridin-2-ylidene)indene-1,3-dione
- IUPAC
- 2-(4,6-dimethyl-2-pyridinyl)-3-hydroxyinden-1-one
Names & synonyms
NSC36726975997-84-12-(4,6-dimethyl-1H-pyridin-2-ylidene)indene-1,3-dioneDTXSID00419597NSC-367269DS-0033422-(4,6-Dimethylpyridin-2(1H)-ylidene)-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
75997-84-1- PubChem CID
- 339664
- DTXSID
DTXSID00419597- Nikkaji
- J999.170K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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