3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol

C13H17NO3 — CID 171957675

IUPAC3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(C2(O)CC3CCC(C2)O3)nc1
InChIInChI=1S/C13H17NO3/c1-16-11-4-5-12(14-8-11)13(15)6-9-2-3-10(7-13)17-9/h4-5,8-10,15H,2-3,6-7H2,1H3
InChIKeyDQRMRVBIIPRPAP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.62
Rot. Bonds2

About 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171957675) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171957675
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(C2(O)CC3CCC(C2)O3)nc1
InChIInChI=1S/C13H17NO3/c1-16-11-4-5-12(14-8-11)13(15)6-9-2-3-10(7-13)17-9/h4-5,8-10,15H,2-3,6-7H2,1H3
InChIKeyDQRMRVBIIPRPAP-UHFFFAOYSA-N
XLogP1.62
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957748
9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957681
3-(6-methylpyridazin-3-yl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171964824
3-[3-methoxy-5-(trifluoromethyl)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956932
3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955161
5-methoxy-2-(1-methylcyclobutyl)pyridine
CID 58279979
3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954665
3-[4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenoxy]propanenitrile
CID 171963241
2-[[(5-methoxy-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 106504158
3-(4,5-difluoro-2-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954740
N-cyclopropyl-5-methoxypyridin-2-amine
CID 106503930
1-cyclopropyl-2-[(5-methoxy-2-pyridinyl)amino]ethanol
CID 106504104

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171957675) is 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol is COc1ccc(C2(O)CC3CCC(C2)O3)nc1.
What is the InChIKey of 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is DQRMRVBIIPRPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-4-5-12(14-8-11)13(15)6-9-2-3-10(7-13)17-9/h4-5,8-10,15H,2-3,6-7H2,1H3.
What are the key properties of 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 235.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).