3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol

C13H17NO3 — CID 171957748

IUPAC3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(C2(O)CC3CCC(C2)O3)cn1
InChIInChI=1S/C13H17NO3/c1-16-12-5-2-9(8-14-12)13(15)6-10-3-4-11(7-13)17-10/h2,5,8,10-11,15H,3-4,6-7H2,1H3
InChIKeyZVDUFBBVNSSXES-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.62
Rot. Bonds2

About 3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171957748) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171957748
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCOc1ccc(C2(O)CC3CCC(C2)O3)cn1
InChIInChI=1S/C13H17NO3/c1-16-12-5-2-9(8-14-12)13(15)6-10-3-4-11(7-13)17-10/h2,5,8,10-11,15H,3-4,6-7H2,1H3
InChIKeyZVDUFBBVNSSXES-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-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
3-[6-(trifluoromethyl)-3-pyridinyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954541
3-(5-methoxy-2-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957675
5-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)pyrimidine-2-carbonitrile
CID 171957575
3-[4-(dimethylamino)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171960397
3-quinoxalin-6-yl-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956313
3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955921
2-methoxy-5-(1-methylcyclopropyl)pyridine
CID 140857812
3-[3-methoxy-5-(trifluoromethyl)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956932
3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957331
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171953697
3-(2,3-difluoro-4-methoxyphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954665

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171957748) is 3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol is COc1ccc(C2(O)CC3CCC(C2)O3)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZVDUFBBVNSSXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-12-5-2-9(8-14-12)13(15)6-10-3-4-11(7-13)17-10/h2,5,8,10-11,15H,3-4,6-7H2,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).