5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine

C11H15BrN2O2 — CID 79534671

IUPAC5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine
SMILESNc1cnc(OCC2CCOCC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c12-10-5-9(13)6-14-11(10)16-7-8-1-3-15-4-2-8/h5-6,8H,1-4,7,13H2
InChIKeyDPOLOKBWRJEDHZ-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.23
Rot. Bonds3

About 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine

5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine (PubChem CID 79534671) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine
PubChem CID79534671
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine
SMILESNc1cnc(OCC2CCOCC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O2/c12-10-5-9(13)6-14-11(10)16-7-8-1-3-15-4-2-8/h5-6,8H,1-4,7,13H2
InChIKeyDPOLOKBWRJEDHZ-UHFFFAOYSA-N
XLogP2.23
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine (CID 79534671) is 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine is Nc1cnc(OCC2CCOCC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine?
The InChIKey is DPOLOKBWRJEDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-10-5-9(13)6-14-11(10)16-7-8-1-3-15-4-2-8/h5-6,8H,1-4,7,13H2.
What are the key properties of 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine?
5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine has a molecular weight of 287.16 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine is sourced from PubChem (CID 79534671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).