[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol

C11H13ClN2O — CID 156825890

IUPAC[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3(CC3)C2)nc1Cl
InChIInChI=1S/C11H13ClN2O/c12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11/h1-2,15H,3-7H2
InChIKeyMUQAQACFWVNUHC-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.83
Rot. Bonds2

About [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol

[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol (PubChem CID 156825890) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol
PubChem CID156825890
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol
SMILESOCc1ccc(N2CC3(CC3)C2)nc1Cl
InChIInChI=1S/C11H13ClN2O/c12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11/h1-2,15H,3-7H2
InChIKeyMUQAQACFWVNUHC-UHFFFAOYSA-N
XLogP1.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.83
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 [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol?
The IUPAC name of [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol (CID 156825890) is [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol.
What is the SMILES notation for [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol?
The canonical SMILES for [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol is OCc1ccc(N2CC3(CC3)C2)nc1Cl.
What is the InChIKey of [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol?
The InChIKey is MUQAQACFWVNUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-8(5-15)1-2-9(13-10)14-6-11(7-14)3-4-11/h1-2,15H,3-7H2.
What are the key properties of [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol?
[6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol has a molecular weight of 224.69 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-azaspiro[2.3]hexan-5-yl)-2-chloro-3-pyridinyl]methanol is sourced from PubChem (CID 156825890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).