8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C11H14ClN3O — CID 79555528

IUPAC8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncc(Cl)cn1
InChIInChI=1S/C11H14ClN3O/c12-7-5-13-11(14-6-7)15-8-1-2-9(15)4-10(16)3-8/h5-6,8-10,16H,1-4H2
InChIKeyIPKFFKUTMOHIFK-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.62
Rot. Bonds1

About 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 79555528) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID79555528
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncc(Cl)cn1
InChIInChI=1S/C11H14ClN3O/c12-7-5-13-11(14-6-7)15-8-1-2-9(15)4-10(16)3-8/h5-6,8-10,16H,1-4H2
InChIKeyIPKFFKUTMOHIFK-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 79555528) is 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1ncc(Cl)cn1.
What is the InChIKey of 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IPKFFKUTMOHIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-7-5-13-11(14-6-7)15-8-1-2-9(15)4-10(16)3-8/h5-6,8-10,16H,1-4H2.
What are the key properties of 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 239.71 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloropyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 79555528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).