1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane

C11H13ClN2O — CID 156848196

IUPAC1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane
SMILESClc1cccnc1OCC12CC(CN1)C2
InChIInChI=1S/C11H13ClN2O/c12-9-2-1-3-13-10(9)15-7-11-4-8(5-11)6-14-11/h1-3,8,14H,4-7H2
InChIKeyQHNKJGQOHTYGNP-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.87
Rot. Bonds3

About 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane

1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane (PubChem CID 156848196) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane
PubChem CID156848196
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane
SMILESClc1cccnc1OCC12CC(CN1)C2
InChIInChI=1S/C11H13ClN2O/c12-9-2-1-3-13-10(9)15-7-11-4-8(5-11)6-14-11/h1-3,8,14H,4-7H2
InChIKeyQHNKJGQOHTYGNP-UHFFFAOYSA-N
XLogP1.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796420
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
3-chloro-2-[(1,4,4-trimethylpyrrolidin-2-yl)methoxy]pyridine
CID 156848425
3-chloro-2-[(3,3-dimethylpyrrolidin-2-yl)methoxy]pyridine
CID 156848717
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 94406451
1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane
CID 156848733
3-chloro-2-[(2S,4R)-2-chloropiperidin-4-yl]oxypyridine
CID 166808122
bis(3-chloro-2-pyridinyl) propanedioate
CID 69083398
3-chloro-2-(4-iodophenoxy)pyridine
CID 61400161
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
CID 119900670
5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352850
4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
CID 126955026

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane (CID 156848196) is 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane is Clc1cccnc1OCC12CC(CN1)C2.
What is the InChIKey of 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane?
The InChIKey is QHNKJGQOHTYGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-2-1-3-13-10(9)15-7-11-4-8(5-11)6-14-11/h1-3,8,14H,4-7H2.
What are the key properties of 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane?
1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane has a molecular weight of 224.69 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 156848196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).