2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol

C14H19BrF3NO5 — CID 134489175

IUPAC2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H19BrF3NO5/c15-11-9-12(14(16,17)18)13(19-10-11)24-8-7-23-6-5-22-4-3-21-2-1-20/h9-10,20H,1-8H2
InChIKeyIOQVRSRSDMKFBS-UHFFFAOYSA-N
MW418.21 g/mol
LogP2.28
Rot. Bonds12

About 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 134489175) has the molecular formula C14H19BrF3NO5 and a molecular weight of 418.21 g/mol. Its IUPAC name is 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID134489175
Molecular FormulaC14H19BrF3NO5
Molecular Weight418.21 g/mol
Exact Mass417.04
IUPAC Name2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H19BrF3NO5/c15-11-9-12(14(16,17)18)13(19-10-11)24-8-7-23-6-5-22-4-3-21-2-1-20/h9-10,20H,1-8H2
InChIKeyIOQVRSRSDMKFBS-UHFFFAOYSA-N
XLogP2.28
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.21
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine
CID 106796826
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-N-ethylethanamine
CID 106796823
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
CID 134128575
[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564186
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796833
5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
CID 104560416
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 106796769
[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methanamine
CID 106796845
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 106796928

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol (CID 134489175) is 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is IOQVRSRSDMKFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF3NO5/c15-11-9-12(14(16,17)18)13(19-10-11)24-8-7-23-6-5-22-4-3-21-2-1-20/h9-10,20H,1-8H2.
What are the key properties of 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 418.21 g/mol, XLogP of 2.28, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 134489175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).