6-Bromo-2-methoxypyridin-3-amine

C₆H₇BrN₂OCAS 89466-18-2203.04 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₆H₇BrN₂O
Molar mass: 203.04 g/mol
Exact mass: 201.9742 Da
Melting point: 78–79 °C (sublimes)
logP: 1.43Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

89466-18-2

SMILES

COc1nc(Br)ccc1N

InChIKey

HSVYYOLSYNEVSP-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BrN2O/c1-10-6-4(8)2-3-5(7)9-6/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 6.78 (m, J = 7.7 Hz, 1H), 6.76 (m, J = 7.7 Hz, 1H), 3.80 (s, 3H), 3.60 (br s, 2H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 170.1, 135.5, 126.6, 125.8, 120.3, 56.0.

[M + H]+

[M + H]+ Calcd for C6H8BrN2O 202.9815

[M + Na]+

[M + Na]+ Calcd for C6H7BrN2NaO 224.9634

[M − H]−

[M − H]− Calcd for C6H6BrN2O 200.9669

Elemental analysis

Anal. Calcd for C6H7BrN2O: C, 35.49; H, 3.48; N, 13.80.

Weigh it out

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

Names and synonyms

6 names

6-Bromo-2-methoxy-3-pyridinamine
3-Pyridinamine, 6-bromo-2-methoxy-
Pyridine, 3-amino-6-bromo-2-methoxy-
5-Amino-2-bromo-6-methoxypyridine
3-Amino-6-bromo-2-methoxypyridine
(6-Bromo-2-methoxypyridin-3-yl)amine

Work with 6-Bromo-2-methoxypyridin-3-amine

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-methyl-3-pyridinamine126325-47-160 % similar 3-Amino-2-methoxy-6-picoline186413-79-658 % similar 6-Bromopyridine-2,3-diamine129012-04-053 % similar 2,6-Dibromo-3-pyridinamine39856-57-053 % similar 2-Amino-5-bromo-3-methoxypyrazine5900-13-053 % similar 3-Amino-6-bromo-2-chloropyridine169833-70-950 % similar 5-Bromo-2-iodo-3-methoxypyrazine476622-89-646 % similar 2-Methoxy-3-pyridinamine20265-38-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-6-methoxypyridin-2-amine1211533-83-3 2-Amino-5-bromo-3-(hydroxymethyl)pyridine335031-01-1 5-Bromo-3-methoxypyridin-2-amine42409-58-5 5-Amino-3-bromo-2-methoxypyridine53242-18-5

Elsewhere

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