2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride

C13H15Cl2N3O — CID 110176972

IUPAC2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride
SMILESClc1ccc(OCC[NH2+]Cc2ccccn2)nc1.[Cl-]
InChIInChI=1S/C13H14ClN3O.ClH/c14-11-4-5-13(17-9-11)18-8-7-15-10-12-3-1-2-6-16-12;/h1-6,9,15H,7-8,10H2;1H
InChIKeyUPDLJWVOIOJZHD-UHFFFAOYSA-N
MW300.19 g/mol
LogP-1.72
Rot. Bonds6

About 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride

2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride (PubChem CID 110176972) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride
PubChem CID110176972
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride
SMILESClc1ccc(OCC[NH2+]Cc2ccccn2)nc1.[Cl-]
InChIInChI=1S/C13H14ClN3O.ClH/c14-11-4-5-13(17-9-11)18-8-7-15-10-12-3-1-2-6-16-12;/h1-6,9,15H,7-8,10H2;1H
InChIKeyUPDLJWVOIOJZHD-UHFFFAOYSA-N
XLogP-1.72
TPSA51.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl(pyridin-2-ylmethyl)azanium
CID 40508011
oxido(pyridin-2-ylmethyl)azanium
CID 87207811
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 6964752
5-chloro-2-ethoxypyridine
CID 4738274
5-chloro-2-(2-methoxyphenoxy)pyridine
CID 66233202
2-(3-pyridin-2-ylpropoxy)-5-thiophen-2-ylpyridine
CID 126469937
3-(chloromethyl)-6-(2-pyridin-2-ylethoxy)pyridazine
CID 61269892
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine
CID 115697912
6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide
CID 43128879
5-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448551
2-(2-chloroethoxy)pyridine
CID 22624993
ethane;methyl(pyridin-2-ylmethyl)azanium
CID 91331708

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride (CID 110176972) is 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride is Clc1ccc(OCC[NH2+]Cc2ccccn2)nc1.[Cl-].
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride?
The InChIKey is UPDLJWVOIOJZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O.ClH/c14-11-4-5-13(17-9-11)18-8-7-15-10-12-3-1-2-6-16-12;/h1-6,9,15H,7-8,10H2;1H.
What are the key properties of 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride?
2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride has a molecular weight of 300.19 g/mol, XLogP of -1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)oxy]ethyl-(pyridin-2-ylmethyl)azanium chloride is sourced from PubChem (CID 110176972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).