7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C13H17FN2O3 — CID 171960385

IUPAC7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCOc1ncc(F)cc1C1(O)CC2COCC(C1)N2
InChIInChI=1S/C13H17FN2O3/c1-18-12-11(2-8(14)5-15-12)13(17)3-9-6-19-7-10(4-13)16-9/h2,5,9-10,16-17H,3-4,6-7H2,1H3
InChIKeyGZYSUBICTGVRMX-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.57
Rot. Bonds2

About 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171960385) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171960385
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCOc1ncc(F)cc1C1(O)CC2COCC(C1)N2
InChIInChI=1S/C13H17FN2O3/c1-18-12-11(2-8(14)5-15-12)13(17)3-9-6-19-7-10(4-13)16-9/h2,5,9-10,16-17H,3-4,6-7H2,1H3
InChIKeyGZYSUBICTGVRMX-UHFFFAOYSA-N
XLogP0.57
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol with MolForge

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Related Compounds

7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959249
3-(5-fluoro-2-methoxy-3-pyridinyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171960383
8-benzyl-3-(5-fluoro-2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960371
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957442
7-(2,3,5,6-tetrafluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171955369
3-(6-methoxy-4-methyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171960266
7-(2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965027
3-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961519
3-(6-methoxy-4-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171960276
7-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953735
7-[2-(difluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961917
(6-methoxy-5-methyl-3-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171946177

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171960385) is 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is COc1ncc(F)cc1C1(O)CC2COCC(C1)N2.
What is the InChIKey of 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is GZYSUBICTGVRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-18-12-11(2-8(14)5-15-12)13(17)3-9-6-19-7-10(4-13)16-9/h2,5,9-10,16-17H,3-4,6-7H2,1H3.
What are the key properties of 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 268.29 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171960385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).