2-(2,4-Difluorophenoxy)-3-nitropyridine

C₁₁H₆F₂N₂O₃CAS 175135-62-3252.18 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₁₁H₆F₂N₂O₃
Molar mass: 252.18 g/mol
Exact mass: 252.0346 Da
Melting point: 53–54 °C
logP: 3.06Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

175135-62-3

SMILES

O=[N+]([O-])c1cccnc1Oc1ccc(F)cc1F

InChIKey

WZRAMZMIQUBNMG-UHFFFAOYSA-N

InChI

InChI=1S/C11H6F2N2O3/c12-7-3-4-10(8(13)6-7)18-11-9(15(16)17)2-1-5-14-11/h1-6H

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Names and synonyms

1 names

Pyridine, 2-(2,4-difluorophenoxy)-3-nitro-

Work with 2-(2,4-Difluorophenoxy)-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

2-(2-Fluorophenoxy)-3-nitropyridine175135-65-673 % similar 2-(2,4-Difluorophenoxy)-3-pyridinamine175135-63-458 % similar 2,4-Difluoronitrobenzene446-35-556 % similar 2-Methoxy-3-nitropyridine20265-35-451 % similar 2,5-Difluoronitrobenzene364-74-950 % similar 4-Fluoro-2-nitroanisole445-83-048 % similar 2-Fluoro-3-nitropyridine1480-87-148 % similar 3-Fluoro-2-nitropyridine54231-35-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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