Basic information
- CAS
36844-97-0- Standard SMILES
Cc1cccnc1NC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
VSRWIFLXAWQPFD-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- Benzamide, N-(3-methyl-2-pyridinyl)-3-nitro-
- IUPAC
- N-(3-methyl-2-pyridinyl)-3-nitrobenzamide
Names & synonyms
Benzamide, N-(3-methyl-2-pyridinyl)-3-nitro-BRN 0417649N-(3-Methyl-2-pyridinyl)-3-nitrobenzamide36844-97-0DTXSID801903125-22-09-00276 (Beilstein Handbook Reference)RefChem:322343DTXCID90112803n-(3-methylpyridin-2-yl)-3-nitrobenzamideOprea1_202554Oprea1_755015AKOS001315701
Show more names
ST061519N-(3-methyl(2-pyridyl))(3-nitrophenyl)carboxamideZ58490224
Database identifiers
- CAS
36844-97-0- PubChem CID
- 215929
- DTXSID
DTXSID80190312
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…