5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol

C10H13N3O — CID 10198017

IUPAC5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol
SMILESOc1cncc(N2CC3CC2CN3)c1
InChIInChI=1S/C10H13N3O/c14-10-2-9(3-11-5-10)13-6-7-1-8(13)4-12-7/h2-3,5,7-8,12,14H,1,4,6H2
InChIKeyFQXZEMJVGYXBEY-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.34
Rot. Bonds1

About 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol

5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol (PubChem CID 10198017) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol
PubChem CID10198017
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol
SMILESOc1cncc(N2CC3CC2CN3)c1
InChIInChI=1S/C10H13N3O/c14-10-2-9(3-11-5-10)13-6-7-1-8(13)4-12-7/h2-3,5,7-8,12,14H,1,4,6H2
InChIKeyFQXZEMJVGYXBEY-UHFFFAOYSA-N
XLogP0.34
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol?
The IUPAC name of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol (CID 10198017) is 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol.
What is the SMILES notation for 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol?
The canonical SMILES for 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol is Oc1cncc(N2CC3CC2CN3)c1.
What is the InChIKey of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol?
The InChIKey is FQXZEMJVGYXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10-2-9(3-11-5-10)13-6-7-1-8(13)4-12-7/h2-3,5,7-8,12,14H,1,4,6H2.
What are the key properties of 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol?
5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol has a molecular weight of 191.23 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-ol is sourced from PubChem (CID 10198017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).