2-Chloro-5-(trifluoromethyl)pyridin-3-amine

C₆H₄ClF₃N₂CAS 72587-18-9196.56 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₆H₄ClF₃N₂
Molar mass: 196.56 g/mol
Exact mass: 196.0015 Da
logP: 2.34Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

72587-18-9

SMILES

C1=C(C=NC(=C1N)Cl)C(F)(F)F

InChIKey

HABKYPVMMHBOIW-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClF3N2/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H,11H2

Weigh it out

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

Names and synonyms

1 names

2-Chloro-5-(trifluoromethyl)-3-pyridinamine

Work with 2-Chloro-5-(trifluoromethyl)pyridin-3-amine

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

2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-763 % similar 2-Chloro-3-fluoro-5-(trifluoromethyl)pyridine72600-67-061 % similar 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine71701-92-359 % similar 2-Chloro-5-fluoro-3-pyridinamine884495-37-855 % similar N2-Methyl-5-(trifluoromethyl)pyridine-2,3-diamine172648-55-454 % similar 2-Chloro-5-(trifluoromethyl)pyridine-3-boronic acid536693-96-654 % similar 2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine34207-44-853 % similar 3-Amino-2,5-dichloropyridine78607-32-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-(trifluoromethyl)-4-pyridinamine1061358-78-8 3-Amino-2-chloro-6-(trifluoromethyl)pyridine117519-09-2 5-Chloro-6-(trifluoromethyl)pyridin-2-amine1227595-72-3 2-Chloro-6-(trifluoromethyl)pyridin-4-amine34486-22-1 3-Chloro-5-(trifluoromethyl)-2-pyridinamine79456-26-1

Elsewhere

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