3-Nitropyridine-2-carboxylic acid

HCID 18376612CAS 59290-85-6

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Basic information

Standard SMILES: O=C(O)c1ncccc1[N+](=O)[O-]
InChIKey: ZUUJWCKWJJGJOE-UHFFFAOYSA-N
Molecular formula: C6H4N2O4
Average molar mass: 168.11 g/mol
Monoisotopic mass: 168.01710661

Names & identifiers

Preferred name: 3-Nitropyridine-2-carboxylic acid
IUPAC: 3-nitropyridine-2-carboxylic acid
English name: 3-Nitro-pyridine-2-carboxylic acid
Molecular formula: C6H4N2O4
Molecular weight: 168.11

Names & synonyms

59290-85-63-NITROPYRIDINE-2-CARBOXYLIC ACIDDTXSID60593261RefChem:504513DTXCID50544025812-424-03-Nitro-pyridine-2-carboxylic acid3-Nitropicolinic acidMFCD066585003-NITRO-2-PYRIDINECARBOXYLIC ACIDnitropicolinic acid2-Pyridinecarboxylic acid, 3-nitro-

Show more names

3-nitro- (6CI)3-Nitropyridine-2-Carboxylic3-Nitro-2-pyridinecarboxy...3-Nitropyridine-2-carboxylicaci3-Nitro-2-pyridinecarboxylicacid3-Nitro-pyridine-2-carboxylic acid amide

3-Nitro-Pyridine-2-CarboxylicAcid2-carboxy-3-nitr2-carboxy-3-nitropyridineSCHEMBL1232905ZUUJWCKWJJGJOE-UHFFFAOYSA-NAB1563AKOS006293624PB26199

Database identifiers

CAS: 59290-85-6
PubChem CID: 18376612
DTXSID: DTXSID60593261
EC Number: 812-424-0

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 96 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 200

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 105 °C · 105 °C
Boiling point: 369.5 · 369.5±27.0 °C(Predicted)
Density: 1.57 · 1.570±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 1.27 · 1.27±0.30(Predicted)
color: yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.