2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride

C8H10ClF3N2 — CID 155858331

IUPAC2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2.ClH/c9-8(10,11)7-5-6(1-3-12)2-4-13-7;/h2,4-5H,1,3,12H2;1H
InChIKeyWEVMBJRSGFIYRJ-UHFFFAOYSA-N
MW226.63 g/mol
LogP2.02
Rot. Bonds2

About 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride

2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride (PubChem CID 155858331) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
PubChem CID155858331
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2.ClH/c9-8(10,11)7-5-6(1-3-12)2-4-13-7;/h2,4-5H,1,3,12H2;1H
InChIKeyWEVMBJRSGFIYRJ-UHFFFAOYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride?
The IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride (CID 155858331) is 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride is Cl.NCCc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride?
The InChIKey is WEVMBJRSGFIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.ClH/c9-8(10,11)7-5-6(1-3-12)2-4-13-7;/h2,4-5H,1,3,12H2;1H.
What are the key properties of 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride?
2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride has a molecular weight of 226.63 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride is sourced from PubChem (CID 155858331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).