3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one

C11H15BrN2O2 — CID 103961906

IUPAC3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one
SMILESNc1cn(CC2CCOCC2)cc(Br)c1=O
InChIInChI=1S/C11H15BrN2O2/c12-9-6-14(7-10(13)11(9)15)5-8-1-3-16-4-2-8/h6-8H,1-5,13H2
InChIKeyNOFMSYZWOPNMMF-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one

3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one (PubChem CID 103961906) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one
PubChem CID103961906
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one
SMILESNc1cn(CC2CCOCC2)cc(Br)c1=O
InChIInChI=1S/C11H15BrN2O2/c12-9-6-14(7-10(13)11(9)15)5-8-1-3-16-4-2-8/h6-8H,1-5,13H2
InChIKeyNOFMSYZWOPNMMF-UHFFFAOYSA-N
XLogP1.62
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one (CID 103961906) is 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one is Nc1cn(CC2CCOCC2)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one?
The InChIKey is NOFMSYZWOPNMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-9-6-14(7-10(13)11(9)15)5-8-1-3-16-4-2-8/h6-8H,1-5,13H2.
What are the key properties of 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one?
3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one has a molecular weight of 287.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(oxan-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 103961906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).