6-(Trifluoromethyl)pyridine-3-carboxaldehyde

C₇H₄F₃NOCAS 386704-12-7175.11 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

H301 Toxic if swallowed94.4% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction94.4% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98.6% of notifiers

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

386704-12-7

SMILES

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

InChIKey

MRPAGRCGPAXOGS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 6-(Trifluoromethyl)pyridine-3-carboxaldehyde

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'-Bipyridyl-5,5'-dialdehyde135822-72-953 % similar 4-(Trifluoromethyl)benzaldehyde455-19-652 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-248 % similar 6-Hydroxynicotinaldehyde106984-91-248 % similar 6-Bromo-3-pyridinecarboxaldehyde149806-06-448 % similar 5-Hydroxy-2-(trifluoromethyl)pyridine216766-12-048 % similar 2-Chloropyridine-5-carbaldehyde23100-12-148 % similar 5-Bromo-2-(trifluoromethyl)pyridine436799-32-548 % 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 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-5 2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one33284-21-8 3,4,5-Trifluorobenzamide78324-75-1 2,4,6-Trifluorobenzamide82019-50-9 2,4,5-Trifluorobenzamide98349-23-6

Elsewhere

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