2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride

C8H9Cl2F3N2 — CID 66912444

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
SMILESCl.NCCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13;/h3-4H,1-2,13H2;1H
InChIKeyXZPAHUSHYKUMPU-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.68
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride (PubChem CID 66912444) has the molecular formula C8H9Cl2F3N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
PubChem CID66912444
Molecular FormulaC8H9Cl2F3N2
Molecular Weight261.07 g/mol
Exact Mass260.01
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
SMILESCl.NCCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13;/h3-4H,1-2,13H2;1H
InChIKeyXZPAHUSHYKUMPU-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Aminomethyl)-2-chloropyridine
CID 7020927
4-chloro-N-(pyridin-3-ylmethyl)aniline
CID 2804545
2,3-Dichloro-5-(trifluoromethyl)pyridine
CID 112234
2-{[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methylidene}hydrazine-1-carbothioamide
CID 9583744
7-(5-Chloro-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 71451813
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
3-Chloro-5-(trifluoromethyl)pyridine-2-carbothioamide
CID 2736701
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 2768205
2-(4-Chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 2773827
N-((6-chloro-3-pyridinyl)methyl)-1,2-ethane-diamine
CID 10997737
3-Chloro-5-(trifluoromethyl)pyridine
CID 2736698
(2-(2-Chlorophenyl)pyridin-3-yl)methanamine
CID 44408767

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride (CID 66912444) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride is Cl.NCCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride?
The InChIKey is XZPAHUSHYKUMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13;/h3-4H,1-2,13H2;1H.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride has a molecular weight of 261.07 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride is sourced from PubChem (CID 66912444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).