2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol

C9H13ClN2O2 — CID 167077055

IUPAC2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol
SMILESOCCNCCOc1cc(Cl)ccn1
InChIInChI=1S/C9H13ClN2O2/c10-8-1-2-12-9(7-8)14-6-4-11-3-5-13/h1-2,7,11,13H,3-6H2
InChIKeyAQSDBUVJTVAILF-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.70
Rot. Bonds6

About 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol

2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol (PubChem CID 167077055) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol
PubChem CID167077055
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol
SMILESOCCNCCOc1cc(Cl)ccn1
InChIInChI=1S/C9H13ClN2O2/c10-8-1-2-12-9(7-8)14-6-4-11-3-5-13/h1-2,7,11,13H,3-6H2
InChIKeyAQSDBUVJTVAILF-UHFFFAOYSA-N
XLogP0.70
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol?
The IUPAC name of 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol (CID 167077055) is 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol is OCCNCCOc1cc(Cl)ccn1.
What is the InChIKey of 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol?
The InChIKey is AQSDBUVJTVAILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c10-8-1-2-12-9(7-8)14-6-4-11-3-5-13/h1-2,7,11,13H,3-6H2.
What are the key properties of 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol?
2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol has a molecular weight of 216.67 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol is sourced from PubChem (CID 167077055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).