5-(Aminomethyl)-2-(trifluoromethyl)pyridine

C₇H₇F₃N₂CAS 387350-39-2176.14 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₇H₇F₃N₂
Molar mass: 176.14 g/mol
Exact mass: 176.0561 Da
logP: 1.56Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

387350-39-2

SMILES

C1=CC(=NC=C1CN)C(F)(F)F

InChIKey

XPXVAYGVYBQKDE-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1-2,4H,3,11H2

Weigh it out

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

Names and synonyms

1 names

3-Aminomethyl-6-(trifluoromethyl)pyridine

Work with 5-(Aminomethyl)-2-(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

6-(Trifluoromethyl)pyridine-3-methanol386704-04-763 % similar 5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-963 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-253 % similar 4-(Trifluoromethyl)benzylamine3300-51-452 % similar 5-Hydroxy-2-(trifluoromethyl)pyridine216766-12-048 % similar 5-Bromo-2-(trifluoromethyl)pyridine436799-32-548 % similar 6-Chloro-3-pyridinemethanamine97004-04-148 % similar 5-Cyano-2-(trifluoromethyl)pyridine216431-85-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Trifluoromethyl)-2-pyridinemethanamine164341-39-3 2-(Trifluoromethyl)benzene-1,4-diamine364-13-6 [2-(Trifluoromethyl)phenyl]hydrazine365-34-4 3,5-Diaminobenzotrifluoride368-53-6 3,4-Diaminobenzotrifluoride368-71-8 [3-(Trifluoromethyl)phenyl]hydrazine368-78-5 4-Trifluoromethylphenylhydrazine368-90-1 2-Methyl-6-(trifluoromethyl)pyridin-3-amine383907-17-3

Elsewhere

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