2-(4-Nitrophenyl)-4(1H)-pteridinone
Basic information
- CAS
155513-90-9- Standard SMILES
O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2nccnc12- InChIKey
NUPZFMRBADUCGB-UHFFFAOYSA-N- Molecular formula
- C12H7N5O3
- Average molar mass
- 269.22 g/mol
- Monoisotopic mass
- 269.0548891
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-4(1H)-pteridinone
- IUPAC
- 2-(4-nitrophenyl)-3H-pteridin-4-one
- English name
- 2-(4-Nitrophenyl)-4(1H)-pteridinone
- Molecular formula
- C12H7N5O3
- Molecular weight
- 269.22
Names & synonyms
2-(4-Nitrophenyl)-4(1H)-pteridinone155513-90-92-(4-nitrophenyl)-3H-pteridin-4-one2-(4-Nitrophenyl)pteridin-4(1H)-oneDTXSID80704574DB-0830974(3H)-Pteridinone, 2-(4-nitrophenyl)-
Database identifiers
- CAS
155513-90-9- PubChem CID
- 136165232
- DTXSID
DTXSID80704574
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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