CAS 175277-74-4|CAS 326476-49-7|[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylamine hydrochloride|[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride|[3-chloro-5-(trifluoromethyl)pyr...

General Information

Structure

Molecular Formula

C₇H₇Cl₂F₃N₂

Molecular Mass

247.0450896

Exact Mass

245.99383825

Charge

InChI

InChI=1S/C7H6ClF3N2.ClH/c8-5-1-4(7(9,10)11)3-13-6(5)2-12;/h1,3H,2,12H2;1H

InChIKey

DIEGHTBYTFRSDU-UHFFFAOYSA-N

Canonic Smiles

NCc1ncc(cc1Cl)C(F)(F)F.Cl

Isomeric Smiles

C(c1cc(c(nc1)CN)Cl)(F)(F)F.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.1273483

LogD (pH = 7.4)

0.5356044

Log P

1.4447069

Molar Refractivity

42.6308

Polarizability

16.019657

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride

Synonyms

[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylamine hydrochloride[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-methanamine hydrochloride[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methylamine hydrochloride2-(Aminomethyl)-3-chloro-5-(trifluoromethyl)pyridine hydrochloride 97%[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride

IUPAC Traditional name

[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine hydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00210134

CAS Number

175277-74-4326476-49-7

PubChem SID

162058181

PubChem CID

11499744