6-Iodo-3-nitropyridine

C₅H₃IN₂O₂CAS 28080-54-8250.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃IN₂O₂
Molar mass: 250.00 g/mol
Exact mass: 249.9239 Da
logP: 1.59Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

28080-54-8

SMILES

C1=CC(=NC=C1[N+](=O)[O-])I

InChIKey

SJXWHBQWFBHASX-UHFFFAOYSA-N

InChI

InChI=1S/C5H3IN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Iodo-5-nitropyridine

Work with 6-Iodo-3-nitropyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-5-nitropyridine4548-45-259 % similar 2-Methyl-5-nitropyridine21203-68-958 % similar 2,2′-Dithiobis[5-nitropyridine]2127-10-858 % similar 2-Bromo-5-nitropyridine4487-59-658 % similar 2-Fluoro-5-nitropyridine456-24-658 % similar 5-Nitro-2(1H)-pyridinone5418-51-958 % similar 2-Cyano-5-nitropyridine100367-55-353 % similar 6-Methoxy-3-nitropyridine5446-92-453 % similar

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

Elsewhere

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