(3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C12H14N2O3 — CID 66372247

IUPAC(3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ncccc1O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H14N2O3/c15-10-2-1-5-13-11(10)12(16)14-6-8-3-4-9(7-14)17-8/h1-2,5,8-9,15H,3-4,6-7H2
InChIKeyVKKGFRJUHDRWBK-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.79
Rot. Bonds1

About (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66372247) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66372247
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ncccc1O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H14N2O3/c15-10-2-1-5-13-11(10)12(16)14-6-8-3-4-9(7-14)17-8/h1-2,5,8-9,15H,3-4,6-7H2
InChIKeyVKKGFRJUHDRWBK-UHFFFAOYSA-N
XLogP0.79
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
CID 60923480
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203985
[2-(ethylamino)-3-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370320
2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863356
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789
2-[4-(3-hydroxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421765
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66372247) is (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1ncccc1O)N1CC2CCC(C1)O2.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is VKKGFRJUHDRWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-10-2-1-5-13-11(10)12(16)14-6-8-3-4-9(7-14)17-8/h1-2,5,8-9,15H,3-4,6-7H2.
What are the key properties of (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 234.25 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66372247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).