2-Methoxy-3-(trifluoromethyl)pyridine

C₇H₆F₃NOCAS 121643-44-5177.13 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₇H₆F₃NO
Molar mass: 177.13 g/mol
Exact mass: 177.0401 Da
logP: 2.11Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor88.9% of notifiers
H300 Fatal if swallowed86.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

121643-44-5

SMILES

COC1=C(C=CC=N1)C(F)(F)F

InChIKey

SSAZZVQVJJXPMB-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4H,1H3

Weigh it out

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

Work with 2-Methoxy-3-(trifluoromethyl)pyridine

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-Fluoro-3-(trifluoromethyl)pyridine65753-52-856 % similar 3-Fluoro-2-methoxypyridine884494-69-356 % similar 2,3-Bis(trifluoromethyl)pyridine1644-68-453 % similar 2,3-Dimethoxypyridine52605-97-753 % similar 3-Bromo-2-methoxypyridine13472-59-852 % similar 2-Methoxy-3-pyridinamine20265-38-752 % similar 3-Iodo-2-methoxypyridine112197-15-650 % similar 5-Bromo-2-methoxy-3-(trifluoromethyl)pyridine1214377-42-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)aniline1535-73-5 2-Trifluoromethoxyaniline1535-75-7 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-9 5-Methoxy-2-(trifluoromethyl)pyridine216766-13-1 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-9 6-(Trifluoromethyl)pyridine-3-methanol386704-04-7 2-Amino-5-(trifluoromethyl)phenol454-82-0 4-(Trifluoromethoxy)aniline461-82-5

Elsewhere

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