Basic information
- CAS
37586-00-8- Standard SMILES
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1- InChIKey
QXGCRDZPPUDHNX-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- Benzamide, N-(2-methyl-6-pyridyl)-p-nitro-
- IUPAC
- N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
- English name
- 2-Picoline, 6-(p-nitrobenzamido)-
- Molecular formula
- C13H11N3O3
- Molecular weight
- 257.24
Names & synonyms
37586-00-82-Picoline, 6-(p-nitrobenzamido)-Benzamide, N-(2-methyl-6-pyridyl)-p-nitro-BRN 0415421Pyridine, 2-methyl-6-(p-nitrobenzamido)-DTXSID201910205-22-09-00215 (Beilstein Handbook Reference)RefChem:322254DTXCID30113511N-(6-methylpyridin-2-yl)-4-nitrobenzamideOprea1_800327Oprea1_812544
Show more names
N-(6-Methyl-2-pyridyl)-4-nitrobenzamideBenzamide, N-(6-methyl-2-pyridinyl)-4-nitro-
STK179324AKOS000612460ST061093N-(6-methyl-2-pyridinyl)-4-nitrobenzamideSR-01000389816N-(6-methyl(2-pyridyl))(4-nitrophenyl)carboxamideSR-01000389816-1Z57260247
Database identifiers
- CAS
37586-00-8- PubChem CID
- 216673
- DTXSID
DTXSID20191020- Nikkaji
- J54.825A
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
- 335
Physicochemical properties
- Boiling point
- 363 · 363.0±37.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 10.85 · 10.85±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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