6-Bromo-2-methyl-3-pyridinamine

C₆H₇BrN₂CAS 126325-47-1187.04 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₇BrN₂
Molar mass: 187.04 g/mol
Exact mass: 185.9793 Da
logP: 1.73Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

126325-47-1

SMILES

Cc1nc(Br)ccc1N

InChIKey

UBTQJSZELCWGCN-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BrN2/c1-4-5(8)2-3-6(7)9-4/h2-3H,8H2,1H3

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.01 (d, J = 7.7 Hz, 1H), 6.74 (d, J = 7.7 Hz, 1H), 3.60 (br s, 2H), 2.55 (s, 3H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 148.0, 141.7, 134.4, 125.1, 124.7, 23.2.

[M + H]+

[M + H]+ Calcd for C6H8BrN2 186.9865

[M + Na]+

[M + Na]+ Calcd for C6H7BrN2Na 208.9685

[M − H]−

[M − H]− Calcd for C6H6BrN2 184.9720

Elemental analysis

Anal. Calcd for C6H7BrN2: C, 38.53; H, 3.77; N, 14.98.

Weigh it out

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

Names and synonyms

5 names

3-Pyridinamine, 6-bromo-2-methyl-
3-Amino-6-bromo-2-methylpyridine
(6-Bromo-2-methylpyridin-3-yl)amine
2-Methyl-3-amino-6-bromopyridine
6-Bromo-2-methylpyridin-3-amine

Work with 6-Bromo-2-methyl-3-pyridinamine

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

6-Bromo-2-methoxypyridin-3-amine89466-18-260 % similar 6-Bromopyridine-2,3-diamine129012-04-057 % similar 2,6-Dimethyl-3-pyridylamine3430-33-957 % similar 2,6-Dibromo-3-pyridinamine39856-57-057 % similar 3,6-Dibromo-2-methylpyridine39919-65-857 % similar 3-Amino-6-chloro-2-picoline164666-68-653 % similar 3-Amino-6-bromo-2-chloropyridine169833-70-953 % similar 3-Amino-6-fluoro-2-methylpyridine28489-47-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-N-methylpyridin-3-amine1022641-52-6 4-Amino-5-bromo-2-methylpyridine10460-50-1 2-Amino-3-bromo-6-methylpyridine126325-46-0 4-Bromo-2-methyl-3-pyridinamine126325-48-2 2-Bromo-4-methyl-3-pyridinamine126325-50-6 2-Bromo-6-methyl-3-pyridinamine126325-53-9 6-Bromo-4-methylpyridin-3-amine156118-16-0 5-Bromo-4,6-dimethylpyrimidine157335-97-2

Elsewhere

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