3-(Pyridin-2-yl)-1H-naphtho[2,1-b]pyran-1-one
Basic information
- CAS
652137-98-9- Standard SMILES
O=c1cc(-c2ccccn2)oc2ccc3ccccc3c12- InChIKey
ZTEHSCMHCBKLIH-UHFFFAOYSA-N- Molecular formula
- C18H11NO2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.07897859
Names & identifiers
- Preferred name
- 3-(Pyridin-2-yl)-1H-naphtho[2,1-b]pyran-1-one
- IUPAC
- 3-pyridin-2-ylbenzo[f]chromen-1-one
Names & synonyms
CHEMBL599551652137-98-93-(Pyridin-2-yl)-1H-naphtho[2,1-b]pyran-1-oneDTXSID50673162BDBM503103633-(2''-Pyridinyl)-1H-naphtho[2,1-b]pyran-1-one
Database identifiers
- CAS
652137-98-9- PubChem CID
- 46232175
- DTXSID
DTXSID50673162- ChEMBL
CHEMBL599551- Nikkaji
- J2.991.277G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
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Compound notes
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