2-Amino-5-bromo-4-methyl-3-nitropyridine

C6H6BrN3O2CAS 100367-40-6232.04 g/mol

Open in Covalent MOL file
NBrNH2N+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H6BrN3O2
Molar mass
232.04 g/mol
Exact mass
230.9643 Da
logP
1.64Crippen estimate
Polar surface area
82.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
100367-40-6
SMILES
CC1=C(C(=NC=C1Br)N)[N+](=O)[O-]
InChIKey
KFVGEPWMVKZPND-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9)

Weigh it out

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

Work with 2-Amino-5-bromo-4-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

5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-265 % similar 5-Bromo-2-methoxy-4-methyl-3-nitropyridine884495-14-162 % similar 3,5-Dibromo-4-methylpyridin-2-amine3430-29-357 % similar 3-Bromo-5-nitro-2-pyridinamine15862-31-454 % similar 3-Bromo-4-methyl-5-nitropyridine69872-15-751 % similar 2-Amino-4-methyl-3-nitropyridine6635-86-550 % similar 2-Amino-4,5-dichloro-3-nitropyridine662116-67-849 % similar 5-Bromo-2-hydroxy-3-nitro-4-picoline228410-90-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3-bromo-6-methyl-5-nitropyridine150935-62-9 Methyl 3-amino-6-bromopyrazine-2-carboxylate6966-01-4

Elsewhere

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