8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H15ClN2O — CID 63768873

IUPAC8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncccc1Cl
InChIInChI=1S/C12H15ClN2O/c13-11-2-1-5-14-12(11)15-8-3-4-9(15)7-10(16)6-8/h1-2,5,8-10,16H,3-4,6-7H2
InChIKeyTVFMZPYCZIJZKV-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.23
Rot. Bonds1

About 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768873) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768873
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncccc1Cl
InChIInChI=1S/C12H15ClN2O/c13-11-2-1-5-14-12(11)15-8-3-4-9(15)7-10(16)6-8/h1-2,5,8-10,16H,3-4,6-7H2
InChIKeyTVFMZPYCZIJZKV-UHFFFAOYSA-N
XLogP2.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63768873) is 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1ncccc1Cl.
What is the InChIKey of 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is TVFMZPYCZIJZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-2-1-5-14-12(11)15-8-3-4-9(15)7-10(16)6-8/h1-2,5,8-10,16H,3-4,6-7H2.
What are the key properties of 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 238.72 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).