Basic information
- CAS
36855-64-8- Standard SMILES
Cc1cnccc1NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
PWQNAUQOWNUXPM-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- Benzamide, N-(3-methyl-4-pyridyl)-p-nitro-
- IUPAC
- N-(3-methyl-4-pyridinyl)-4-nitrobenzamide
- English name
- N-(3-Methyl-4-pyridinyl)-4-nitrobenzamide
- Molecular weight
- 0
Names & synonyms
Benzamide, N-(3-methyl-4-pyridyl)-p-nitro-BRN 041616536855-64-83-Picoline, 4-(p-nitrobenzamido)-Pyridine, 3-methyl-4-(p-nitrobenzamido)-DTXSID00190334RefChem:322346DTXCID10112825n-(3-methylpyridin-4-yl)-4-nitrobenzamideN-(3-Methyl-4-pyridinyl)-4-nitrobenzamide
Database identifiers
- CAS
36855-64-8- PubChem CID
- 215950
- DTXSID
DTXSID00190334- Nikkaji
- J54.827H
Properties
Computed structural properties
- XLogP
- 1.9
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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