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

C8H9Cl2F3N2O — CID 54595059

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2O.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)15-2-1-13;/h3-4H,1-2,13H2;1H
InChIKeyJRGVVKWAKFYOFZ-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.51
Rot. Bonds3

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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride (PubChem CID 54595059) has the molecular formula C8H9Cl2F3N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
PubChem CID54595059
Molecular FormulaC8H9Cl2F3N2O
Molecular Weight277.07 g/mol
Exact Mass276.00
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H8ClF3N2O.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)15-2-1-13;/h3-4H,1-2,13H2;1H
InChIKeyJRGVVKWAKFYOFZ-UHFFFAOYSA-N
XLogP2.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride (CID 54595059) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride is Cl.NCCOc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride?
The InChIKey is JRGVVKWAKFYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O.ClH/c9-6-3-5(8(10,11)12)4-14-7(6)15-2-1-13;/h3-4H,1-2,13H2;1H.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride has a molecular weight of 277.07 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride is sourced from PubChem (CID 54595059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).