2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol

C14H16N2O — CID 23201949

IUPAC2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C2CCN(CC2)C1C#Cc1cccnc1
InChIInChI=1S/C14H16N2O/c17-14-12-5-8-16(9-6-12)13(14)4-3-11-2-1-7-15-10-11/h1-2,7,10,12-14,17H,5-6,8-9H2
InChIKeyRAWHTMFLKOEKJV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.89
Rot. Bonds

About 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol

2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 23201949) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID23201949
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C2CCN(CC2)C1C#Cc1cccnc1
InChIInChI=1S/C14H16N2O/c17-14-12-5-8-16(9-6-12)13(14)4-3-11-2-1-7-15-10-11/h1-2,7,10,12-14,17H,5-6,8-9H2
InChIKeyRAWHTMFLKOEKJV-UHFFFAOYSA-N
XLogP0.89
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol with MolForge

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Related Compounds

2-[2-(6-bromo-3-pyridinyl)ethynyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 23201954
(2S,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 52988001
ethyl 2-[4-[2-(3-hydroxy-1-azabicyclo[2.2.2]octan-2-yl)ethynyl]phenyl]acetate
CID 67579311
2-pyridin-3-ylethynylboronic acid
CID 57416299
3-(2-cyclohex-2-en-1-ylethynyl)pyridine
CID 154717923
1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol
CID 125478076
3-pyridin-3-ylprop-2-ynoic acid;hydrochloride
CID 119081448
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
1-pyridin-3-ylpyrrolidin-2-ol
CID 139888349
4-pyridin-3-ylbut-3-yn-2-ol
CID 11147806
CID 87950120
CID 87950120
3-[2-(4-methylphenyl)ethynyl]pyridine
CID 11252533

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol (CID 23201949) is 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol is OC1C2CCN(CC2)C1C#Cc1cccnc1.
What is the InChIKey of 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is RAWHTMFLKOEKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-12-5-8-16(9-6-12)13(14)4-3-11-2-1-7-15-10-11/h1-2,7,10,12-14,17H,5-6,8-9H2.
What are the key properties of 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol?
2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 228.29 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylethynyl)-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 23201949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).