5-(Trifluoromethyl)pyridine-2-carbaldehyde

C₇H₄F₃NOCAS 31224-82-5175.11 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₇H₄F₃NO
Molar mass: 175.11 g/mol
Exact mass: 175.0245 Da
logP: 1.91Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction20% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

31224-82-5

SMILES

C1=CC(=NC=C1C(F)(F)F)C=O

InChIKey

JJDDVGAESNBKMY-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h1-4H

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

Names and synonyms

1 names

5-Trifluoromethyl-pyridine-2-carbaldehyde

Work with 5-(Trifluoromethyl)pyridine-2-carbaldehyde

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

4-(Trifluoromethyl)benzaldehyde455-19-653 % similar 2-Fluoro-5-(trifluoromethyl)pyridine69045-82-552 % similar 2-Iodo-5-(trifluoromethyl)pyridine100366-75-450 % similar 5-Chloropyridine-2-carboxaldehyde31181-89-250 % similar 5-Bromopyridine-2-carbaldehyde31181-90-550 % similar 2-Bromo-5-(trifluoromethyl)pyridine50488-42-150 % similar 2-Chloro-5-(trifluoromethyl)pyridine52334-81-350 % similar 5-(Trifluoromethyl)pyridin-2-amine74784-70-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-1 2,3,4-Trifluorobenzamide207919-09-3 2,3,6-Trifluorobenzamide207986-22-9 2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one33284-21-8 6-(Trifluoromethyl)pyridine-3-carboxaldehyde386704-12-7 3,4,5-Trifluorobenzamide78324-75-1 2,4,6-Trifluorobenzamide82019-50-9 2,4,5-Trifluorobenzamide98349-23-6

Elsewhere

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