5-Bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-pyridinamine

C₁₃H₁₀BrCl₂FN₂OCAS 877399-00-3380.04 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₁₃H₁₀BrCl₂FN₂O
Molar mass: 380.04 g/mol
Exact mass: 377.9338 Da
Melting point: 103 °C
logP: 5.01Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed40% of notifiers
H312 Harmful in contact with skin40% of notifiers
H315 Causes skin irritation60% of notifiers
H317 May cause an allergic skin reaction40% of notifiers
H319 Causes serious eye irritation60% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation40% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

877399-00-3

SMILES

C[C@@H](Oc1cc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl

InChIKey

URFUZAZEKBBCEY-ZCFIWIBFSA-N

InChI

InChI=1S/C13H10BrCl2FN2O/c1-6(11-8(15)2-3-9(17)12(11)16)20-10-4-7(14)5-19-13(10)18/h2-6H,1H3,(H2,18,19)/t6-/m1/s1

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Names and synonyms

4 names

2-Pyridinamine, 5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-
[5-Bromo-3-[1(R)-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-yl]amine
[5-Bromo-3-[[(R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]oxy]pyridin-2-yl]amine
(R)-5-Bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

Work with 5-Bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-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

(S)-Crizotinib1374356-45-260 % similar Crizotinib877399-52-560 % similar Methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate1454848-00-049 % similar (R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine877397-70-148 % similar X-3761365267-27-145 % similar 5-Bromo-3-methoxypyridin-2-amine42409-58-542 % similar 5-Bromo-3-chloropyridin-2-amine38185-55-641 % similar 2-Amino-5-bromo-3-fluoropyridine748812-37-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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