3-Bromo-2-methyl-5-nitropyridine

C6H5BrN2O2CAS 186593-42-0217.02 g/mol

Open in Covalent MOL file
NN+OO−Br
Aryl halideNitro

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
186593-42-0
SMILES
CC1=C(C=C(C=N1)[N+](=O)[O-])Br
InChIKey
QWAOQTGMEGSRLN-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c1-4-6(7)2-5(3-8-4)9(10)11/h2-3H,1H3

Weigh it out

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

Work with 3-Bromo-2-methyl-5-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

3-Bromo-2-methoxy-5-nitropyridine15862-50-766 % similar 2,3-Dibromo-5-nitropyridine15862-36-966 % similar 2,3-Dimethyl-5-nitropyridine89244-47-366 % similar 3-Bromo-5-nitro-2-pyridinamine15862-31-462 % similar 3-Bromo-5-nitro-2(1H)-pyridinone15862-33-662 % similar 2-Fluoro-3-bromo-5-nitro pyridine1868-58-262 % similar 2-Methyl-5-nitropyridin-3-amine51984-61-362 % similar 3-Bromo-2-chloro-5-nitropyridine5470-17-762 % 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 6-Bromo-2-methyl-3-nitropyridine22282-96-8 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

PubChem CAS Common Chemistry NIST WebBook