2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol

C16H14Cl2F6N4O — CID 4522760

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol
SMILESOCCN(CCNc1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H14Cl2F6N4O/c17-11-5-9(15(19,20)21)7-26-13(11)25-1-2-28(3-4-29)14-12(18)6-10(8-27-14)16(22,23)24/h5-8,29H,1-4H2,(H,25,26)
InChIKeyQHVOAXNASUHUAF-UHFFFAOYSA-N
MW463.21 g/mol
LogP4.73
Rot. Bonds7

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol (PubChem CID 4522760) has the molecular formula C16H14Cl2F6N4O and a molecular weight of 463.21 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol
PubChem CID4522760
Molecular FormulaC16H14Cl2F6N4O
Molecular Weight463.21 g/mol
Exact Mass462.04
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol
SMILESOCCN(CCNc1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H14Cl2F6N4O/c17-11-5-9(15(19,20)21)7-26-13(11)25-1-2-28(3-4-29)14-12(18)6-10(8-27-14)16(22,23)24/h5-8,29H,1-4H2,(H,25,26)
InChIKeyQHVOAXNASUHUAF-UHFFFAOYSA-N
XLogP4.73
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.21
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol (CID 4522760) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol is OCCN(CCNc1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol?
The InChIKey is QHVOAXNASUHUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F6N4O/c17-11-5-9(15(19,20)21)7-26-13(11)25-1-2-28(3-4-29)14-12(18)6-10(8-27-14)16(22,23)24/h5-8,29H,1-4H2,(H,25,26).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol has a molecular weight of 463.21 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol is sourced from PubChem (CID 4522760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).