3-Nitropyridine

C5H4N2O2CAS 2530-26-9124.10 g/mol

NN+OO−
Nitro

Properties

Molecular formula
C5H4N2O2
Molar mass
124.10 g/mol
Exact mass
124.0273 Da
logP
0.99Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2530-26-9
SMILES
C1=CC(=CN=C1)[N+](=O)[O-]
InChIKey
QLILRKBRWXALIE-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O2/c8-7(9)5-2-1-3-6-4-5/h1-4H

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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