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

C₆H₆BrN₃O₂CAS 100367-40-6232.04 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary 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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

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 3-Bromo-5-nitro-2-pyridinamine15862-31-454 % similar 5-Bromo-3-nitro-2-pyridinamine6945-68-247 % similar 4-Bromo-2,3-dimethyl-6-nitroaniline108485-13-845 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-443 % similar 2-Bromo-6-nitrotoluene55289-35-543 % similar 4,6-Diamino-5-nitropyrimidine2164-84-342 % similar 5-Iodo-3-nitro-2-pyridinamine25391-57-540 % 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

Elsewhere

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