Basic information
- CAS
51076-41-6- Standard SMILES
Cc1cc(C)c2cc([N+](=O)[O-])c(=O)[nH]c2n1- InChIKey
CYKVYOHCSGYITK-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439115
Names & identifiers
- Preferred name
- 5,7-Dimethyl-3-nitro-1,8-naphthyridin-2(1H)-one
- IUPAC
- 5,7-dimethyl-3-nitro-1H-1,8-naphthyridin-2-one
Names & synonyms
51076-41-65,7-Dimethyl-3-nitro-1,8-naphthyridin-2(1H)-oneSCHEMBL11800255DTXSID30614957CYKVYOHCSGYITK-UHFFFAOYSA-NDA-382073-nitro-5,7-dimethyl-1,8-naphthyridin-2(1H)-one
Database identifiers
- CAS
51076-41-6- PubChem CID
- 21496095
- DTXSID
DTXSID30614957
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 361
Related reactions
1 records
Compound notes
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