CAS 10261-94-6 3-Nitropicolinaldehyde (HCID 329361)

Substructure search Find similar structures

Basic information

CAS: 10261-94-6
Standard SMILES: O=Cc1ncccc1[N+](=O)[O-]
InChIKey: ZERYBWXKTKFOBF-UHFFFAOYSA-N
Molecular formula: C6H4N2O3
Average molar mass: 152.11 g/mol
Monoisotopic mass: 152.02219199

Names & identifiers

Preferred name: 3-Nitropicolinaldehyde
IUPAC: 3-nitropyridine-2-carbaldehyde
English name: 3-Nitropyridine-2-Carbaldehyde
Molecular formula: C6H4N2O3
Molecular weight: 152.11

Names & synonyms

10261-94-63-Nitropicolinaldehyde3-nitropyridine-2-carbaldehyde3-nitro-2-pyridinecarboxaldehyde2-PYRIDINECARBOXALDEHYDE, 3-NITRO-3-NITRO-PYRIDINE-2-CARBALDEHYDEMFCD106968712-formyl-3-nitropyridineNSC311456SCHEMBL3058853-nitro-2-pyridinecarbaldehydeDTXSID7031

Show more names

2-Butyne,5-bromo-3-Nitro-2-pyridinecarboxaL3-nitropyridin-2-carbaldehyde3-Nitropyridine-2-formaldehyde3-Nitro-2-Pyridincarboxaldehyd3-Nitropyridine-2-carboxaldehyde

SCHEMBL7469510SCHEMBL29953235DTXSID70317137ZERYBWXKTKFOBF-UHFFFAOYSA-NAKOS006303392CS-W003735NSC-311456PB28148

Database identifiers

CAS: 10261-94-6
PubChem CID: 329361
DTXSID: DTXSID70317137
Nikkaji: J1.386.817D

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 75.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 166

Physicochemical properties

Boiling point: 283.2 · 283.2±25.0 °C(Predicted)
Density: 1.432 · 1.432±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.2 · -1.20±0.10(Predicted)
Appearance: Light yellow to orange Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
HS Code: 2933399990 · 2933399990

Safety & regulation

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501