3-Nitroisonicotinic acid
Properties
- Molecular formula
- C6H4N2O4
- Molar mass
- 168.11 g/mol
- Exact mass
- 168.0171 Da
- Melting point
- 217 °C
- logP
- 0.69Crippen estimate
- Polar surface area
- 93.3 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
59290-82-3SMILES
O=C(O)c1ccncc1[N+](=O)[O-]InChIKey
YKPIUHZVTZWEEW-UHFFFAOYSA-NInChI
InChI=1S/C6H4N2O4/c9-6(10)4-1-2-7-3-5(4)8(11)12/h1-3H,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 4-Pyridinecarboxylic acid, 3-nitro-
- Isonicotinic acid, 3-nitro-
- 3-Nitro-4-pyridinecarboxylic acid
- 4-Carboxy-3-nitropyridine
- 3-Nitropyridine-4-carboxylic acid
Work with 3-Nitroisonicotinic acid
Similar compounds
2-Nitrobenzoic acid552-16-962 % similar
Nitroterephthalic acid610-29-757 % similar
2,4-Dinitrobenzoic acid610-30-057 % similar
Cinchomeronic acid490-11-957 % similar
4-Fluoro-2-nitrobenzoic acid394-01-456 % similar
2-Chloro-5-nitroisonicotinic acid907545-47-556 % similar
4-Amino-2-nitrobenzoic acid610-36-655 % similar
4-Chloro-2-nitrobenzoic acid6280-88-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.