Coumarin, 7-methoxy-4-(4-pyridyl)-
Basic information
- CAS
841-97-4- Standard SMILES
COc1ccc2c(-c3ccncc3)cc(=O)oc2c1- InChIKey
IWMJGRNPLOQFAS-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- Coumarin, 7-methoxy-4-(4-pyridyl)-
- IUPAC
- 7-methoxy-4-pyridin-4-ylchromen-2-one
- English name
- 7-Methoxy-4-(4-pyridyl)coumarin
- Molecular weight
- 0
Names & synonyms
841-97-4COUMARIN, 7-METHOXY-4-(4-PYRIDYL)-DTXSID40232969RefChem:1082245DTXCID201554607-methoxy-4-(pyridin-4-yl)-2H-chromen-2-one7-Methoxy-4-(4-pyridyl)coumarinBRN 1078400Coumarin deriv. 337-METHOXY-4-(PYRIDIN-4-YL)COUMARINBDBM9484CHEMBL225156
Show more names
7-Methoxy-4-(pyridin-4-yl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
841-97-4- PubChem CID
- 13295
- DTXSID
DTXSID40232969- ChEMBL
CHEMBL225156- Nikkaji
- J48.496B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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