Basic information
- CAS
958-58-7- Standard SMILES
O=c1oc2ccc(Br)cc2cc1-c1ccccn1- InChIKey
IDHKCWBINRCURJ-UHFFFAOYSA-N- Molecular formula
- C14H8BrNO2
- Average molar mass
- 302.12 g/mol
- Monoisotopic mass
- 300.97384
Names & identifiers
- Preferred name
- Coumarin, 6-bromo-3-(2-pyridyl)-
- IUPAC
- 6-bromo-3-pyridin-2-ylchromen-2-one
- English name
- 6-bromo-3-pyridin-2-yl-chromen-2-one
- Molecular formula
- C14H8BrNO2
- Molecular weight
- 302.12
Names & synonyms
6-Bromo-3-(2-pyridyl)coumarin958-58-7BRN 0884139COUMARIN, 6-BROMO-3-(2-PYRIDYL)-DTXSID30241964RefChem:334452DTXCID601644556-bromo-3-(pyridin-2-yl)-2H-chromen-2-one6-BROMO-3-(PYRIDIN-2-YL)-CHROMEN-2-ONEOprea1_2026976-Bromo-3-(pyridin-2-yl)-2H-1-benzopyran-2-one6-bromo-3-pyridin-2-yl-chromen-2-one
Show more names
2H-1-Benzopyran-2-one, 6-bromo-3-(2-pyridinyl)-
Database identifiers
- CAS
958-58-7- PubChem CID
- 13732
- DTXSID
DTXSID30241964- Nikkaji
- J48.481D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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