3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride

C11H14Cl2N2O — CID 90165039

IUPAC3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.Clc1ncccc1OCC1CC2CC2N1
InChIInChI=1S/C11H13ClN2O.ClH/c12-11-10(2-1-3-13-11)15-6-8-4-7-5-9(7)14-8;/h1-3,7-9,14H,4-6H2;1H
InChIKeyJUYQSLIXKWROHJ-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.29
Rot. Bonds3

About 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride

3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 90165039) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID90165039
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.Clc1ncccc1OCC1CC2CC2N1
InChIInChI=1S/C11H13ClN2O.ClH/c12-11-10(2-1-3-13-11)15-6-8-4-7-5-9(7)14-8;/h1-3,7-9,14H,4-6H2;1H
InChIKeyJUYQSLIXKWROHJ-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride (CID 90165039) is 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride is Cl.Clc1ncccc1OCC1CC2CC2N1.
What is the InChIKey of 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is JUYQSLIXKWROHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O.ClH/c12-11-10(2-1-3-13-11)15-6-8-4-7-5-9(7)14-8;/h1-3,7-9,14H,4-6H2;1H.
What are the key properties of 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride?
3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 261.15 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-pyridinyl)oxymethyl]-2-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 90165039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).