5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine

C11H14ClN3O — CID 139405275

IUPAC5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine
SMILESNc1cc(N2CC3CCC(C2)O3)ncc1Cl
InChIInChI=1S/C11H14ClN3O/c12-9-4-14-11(3-10(9)13)15-5-7-1-2-8(6-15)16-7/h3-4,7-8H,1-2,5-6H2,(H2,13,14)
InChIKeyFQIWJDJWBYAUMR-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.68
Rot. Bonds1

About 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine

5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine (PubChem CID 139405275) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine
PubChem CID139405275
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine
SMILESNc1cc(N2CC3CCC(C2)O3)ncc1Cl
InChIInChI=1S/C11H14ClN3O/c12-9-4-14-11(3-10(9)13)15-5-7-1-2-8(6-15)16-7/h3-4,7-8H,1-2,5-6H2,(H2,13,14)
InChIKeyFQIWJDJWBYAUMR-UHFFFAOYSA-N
XLogP1.68
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine?
The IUPAC name of 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine (CID 139405275) is 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine.
What is the SMILES notation for 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine?
The canonical SMILES for 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine is Nc1cc(N2CC3CCC(C2)O3)ncc1Cl.
What is the InChIKey of 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine?
The InChIKey is FQIWJDJWBYAUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-9-4-14-11(3-10(9)13)15-5-7-1-2-8(6-15)16-7/h3-4,7-8H,1-2,5-6H2,(H2,13,14).
What are the key properties of 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine?
5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine has a molecular weight of 239.71 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-4-amine is sourced from PubChem (CID 139405275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).