Basic information
- CAS
13160-58-2- Standard SMILES
O=C(Nc1ccncc1)c1ccc([N+](=O)[O-])cc1- InChIKey
PJMSJOVJUFYHTQ-UHFFFAOYSA-N- Molecular formula
- C12H9N3O3
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.06439116
Names & identifiers
- Preferred name
- Pyridine, 4-(p-nitrobenzamido)-
- IUPAC
- 4-nitro-N-pyridin-4-ylbenzamide
- English name
- N-(4-Pyridinyl)-4-nitrobenzamide
- Molecular formula
- C12H9N3O3
- Molecular weight
- 243.22
Names & synonyms
Pyridine, 4-(p-nitrobenzamido)-13160-58-24-(p-Nitrobenzamido)pyridineBRN 0481971DTXSID201571265-22-09-00135 (Beilstein Handbook Reference)RefChem:376840DTXCID20796174-nitro-N-(pyridin-4-yl)benzamideN-(4-Pyridinyl)-4-nitrobenzamide4-nitro-N-pyridin-4-ylbenzamideCBMicro_025218
Show more names
N-(4-Pyridyl)-p-nitrobenzamideN-(4-Pyridyl)-4-nitrobenzamideBenzamide, 4-nitro-N-4-pyridinyl-
Cambridge id 5573029Oprea1_456367Oprea1_831551CHEMBL4444532CCG-12187STK032218AKOS001604907(4-nitrophenyl)-N-(4-pyridyl)carboxamide
Database identifiers
- CAS
13160-58-2- PubChem CID
- 83188
- DTXSID
DTXSID20157126- ChEMBL
CHEMBL4444532- Nikkaji
- J85.711D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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