2-Methoxy-5-(trifluoromethyl)pyridine

C₇H₆F₃NOCAS 175277-45-9177.13 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

Warning

H226 Flammable liquid and vapor66.7% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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+P317, 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

175277-45-9

SMILES

COc1ccc(C(F)(F)F)cn1

InChIKey

KNIGTEGBOBDGKP-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

3 names

Pyridine, 2-methoxy-5-(trifluoromethyl)-
2-Methoxy-5-trifluoromethylpyridine
5-Trifluoromethyl-2-methoxypyridine

Work with 2-Methoxy-5-(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-Methoxy-5-fluoropyridine51173-04-753 % similar 1-Methoxy-4-(trifluoromethyl)benzene402-52-852 % similar 2,5-Dimethoxy pyridine867267-24-152 % similar 2-Methoxy-5-picoline13472-56-550 % similar 2-Fluoro-5-(trifluoromethyl)pyridine69045-82-550 % similar 2-Hydrazinyl-5-(trifluoromethyl)pyridine89570-85-450 % similar 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile175277-01-749 % similar 2-Iodo-5-(trifluoromethyl)pyridine100366-75-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-3-(trifluoromethyl)pyridine121643-44-5 3-(Trifluoromethoxy)aniline1535-73-5 2-Trifluoromethoxyaniline1535-75-7 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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