6-Bromo-2-methyl-3-nitropyridine

C₆H₅BrN₂O₂CAS 22282-96-8217.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₅BrN₂O₂
Molar mass: 217.02 g/mol
Exact mass: 215.9534 Da
logP: 2.06Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

22282-96-8

SMILES

Cc1nc(Br)ccc1[N+](=O)[O-]

InChIKey

PCNVKBBKROTUNS-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names

Pyridine, 6-bromo-2-methyl-3-nitro-
2-Picoline, 6-bromo-3-nitro-
2-Bromo-5-nitro-6-picoline

Work with 6-Bromo-2-methyl-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

2,6-Dimethyl-3-nitropyridine15513-52-765 % similar 2,6-Dibromo-3-nitropyridine55304-80-865 % similar 2-Fluoro-5-nitro-6-picoline18605-16-861 % similar 6-Chloro-2-methyl-3-nitropyridine22280-60-061 % similar 6-Bromo-3-nitro-2-pyridinamine84487-04-761 % similar 2-Methoxy-5-nitro-6-picoline5467-69-658 % similar 6-Bromo-2-nitro-pyridin-3-ol443956-08-953 % similar 2-Methyl-3-nitropyridine18699-87-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-9 2-Bromo-5-nitroaniline10403-47-1 2-Bromo-4-nitrobenzenamine13296-94-1 3-Bromo-2-methyl-5-nitropyridine186593-42-0 2-Bromo-3-nitro-4-picoline23056-45-3 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-3-methyl-5-nitropyridine23132-21-0 2-Bromo-6-methyl-3-nitropyridine374633-31-5

Elsewhere

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