Basic information
- CAS
36845-15-5- Standard SMILES
O=C(Nc1ncccc1C(=O)O)c1ccc([N+](=O)[O-])cc1- InChIKey
AHVZWIOHDYMAPH-UHFFFAOYSA-N- Molecular formula
- C13H9N3O5
- Average molar mass
- 287.23 g/mol
- Monoisotopic mass
- 287.0542204
Names & identifiers
- Preferred name
- Nicotinic acid, 2-(p-nitrobenzamido)-
- IUPAC
- 2-[(4-nitrobenzoyl)amino]pyridine-3-carboxylic acid
- English name
- 2-[(4-Nitrobenzoyl)amino]-3-pyridinecarboxylic acid
- Molecular formula
- C13H9N3O5
- Molecular weight
- 0
Names & synonyms
2-(p-Nitrobenzamido)nicotinic acidNICOTINIC ACID, 2-(p-NITROBENZAMIDO)-BRN 043146936845-15-5DTXSID50190324RefChem:365642DTXCID601128152-(4-NITROBENZAMIDO)PYRIDINE-3-CARBOXYLIC ACIDSCHEMBL18640738SCHEMBL18640739AKOS0129652662-(p-Nitrobenzamido)-nicotinsaeure
Show more names
2-[(4-Nitrobenzoyl)amino]-3-pyridinecarboxylic acid
Database identifiers
- CAS
36845-15-5- PubChem CID
- 37554
- DTXSID
DTXSID50190324- Nikkaji
- J42.476E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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