Coumarin, 6-nitro-3-(4-pyridyl)-
Basic information
- CAS
3390-70-3- Standard SMILES
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccncc1- InChIKey
LJYXKUOCGUAQEH-UHFFFAOYSA-N- Molecular formula
- C14H8N2O4
- Average molar mass
- 268.22 g/mol
- Monoisotopic mass
- 268.04840674
Names & identifiers
- Preferred name
- Coumarin, 6-nitro-3-(4-pyridyl)-
- IUPAC
- 6-nitro-3-pyridin-4-ylchromen-2-one
- English name
- 6-Nitro-3-(4-pyridyl)coumarin
- Molecular formula
- C14H8N2O4
- Molecular weight
- 268.22
Names & synonyms
6-Nitro-3-(4-pyridyl)coumarin3390-70-3COUMARIN, 6-NITRO-3-(4-PYRIDYL)-BRN 0889282DTXSID60187523RefChem:334456DTXCID201100146-Nitro-3-(pyridin-4-yl)-2H-chromen-2-one6-nitro-3-(4-pyridinyl)-2H-chromen-2-one6-Nitro-3-(pyridin-4-yl)-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 6-nitro-3-(4-pyridinyl)-
Database identifiers
- CAS
3390-70-3- PubChem CID
- 18822
- DTXSID
DTXSID60187523- Nikkaji
- J48.499G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 437
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Compound notes
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