1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol

C12H15ClN2O — CID 141001380

IUPAC1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol
SMILESOC1CC2(c3cncc(Cl)c3)CCCC1N2
InChIInChI=1S/C12H15ClN2O/c13-9-4-8(6-14-7-9)12-3-1-2-10(15-12)11(16)5-12/h4,6-7,10-11,15-16H,1-3,5H2
InChIKeyRYAKLPPMSZTCBN-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.84
Rot. Bonds1

About 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol

1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol (PubChem CID 141001380) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol.

Molecular Properties

Compound Name1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol
PubChem CID141001380
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol
SMILESOC1CC2(c3cncc(Cl)c3)CCCC1N2
InChIInChI=1S/C12H15ClN2O/c13-9-4-8(6-14-7-9)12-3-1-2-10(15-12)11(16)5-12/h4,6-7,10-11,15-16H,1-3,5H2
InChIKeyRYAKLPPMSZTCBN-UHFFFAOYSA-N
XLogP1.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol?
The IUPAC name of 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol (CID 141001380) is 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol.
What is the SMILES notation for 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol?
The canonical SMILES for 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol is OC1CC2(c3cncc(Cl)c3)CCCC1N2.
What is the InChIKey of 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol?
The InChIKey is RYAKLPPMSZTCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-9-4-8(6-14-7-9)12-3-1-2-10(15-12)11(16)5-12/h4,6-7,10-11,15-16H,1-3,5H2.
What are the key properties of 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol?
1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol has a molecular weight of 238.72 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-pyridinyl)-8-azabicyclo[3.2.1]octan-6-ol is sourced from PubChem (CID 141001380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).