2-Bromo-6-methyl-3-nitropyridine

C₆H₅BrN₂O₂CAS 374633-31-5217.02 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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

374633-31-5

SMILES

Cc1ccc([N+](=O)[O-])c(Br)n1

InChIKey

IHHLJCDGOSZFTB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Pyridine, 2-bromo-6-methyl-3-nitro-
2-Bromo-3-nitro-6-methylpyridine

Work with 2-Bromo-6-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-6-methyl-3-nitropyridine19346-45-361 % similar 2-Amino-3-nitro-6-picoline21901-29-161 % similar 2-Chloro-6-methyl-3-nitropyridine56057-19-361 % similar 2-Bromo-6-methoxy-3-nitropyridine344296-05-561 % similar 2-Methoxy-6-methyl-3-nitropyridine112163-03-858 % similar 6-Methyl-2-nitropyridin-3-ol15128-90-253 % 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 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

Elsewhere

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