8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol

C11H14ClN3O — CID 88888665

IUPAC8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccnn2)CC2CCC(C1)N2Cl
InChIInChI=1S/C11H14ClN3O/c12-15-8-3-4-9(15)7-11(16,6-8)10-2-1-5-13-14-10/h1-2,5,8-9,16H,3-4,6-7H2
InChIKeyDWRQBMMXTOHQSL-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.44
Rot. Bonds1

About 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol

8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 88888665) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID88888665
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccnn2)CC2CCC(C1)N2Cl
InChIInChI=1S/C11H14ClN3O/c12-15-8-3-4-9(15)7-11(16,6-8)10-2-1-5-13-14-10/h1-2,5,8-9,16H,3-4,6-7H2
InChIKeyDWRQBMMXTOHQSL-UHFFFAOYSA-N
XLogP1.44
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 88888665) is 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2cccnn2)CC2CCC(C1)N2Cl.
What is the InChIKey of 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DWRQBMMXTOHQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-15-8-3-4-9(15)7-11(16,6-8)10-2-1-5-13-14-10/h1-2,5,8-9,16H,3-4,6-7H2.
What are the key properties of 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 239.71 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 88888665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).