4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one

C9H10BrN3O2 — CID 90078115

IUPAC4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one
SMILESNc1ncc(Br)cc1N1CCOCC1=O
InChIInChI=1S/C9H10BrN3O2/c10-6-3-7(9(11)12-4-6)13-1-2-15-5-8(13)14/h3-4H,1-2,5H2,(H2,11,12)
InChIKeyOBZRNQOZWGIGAV-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.79
Rot. Bonds1

About 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one

4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one (PubChem CID 90078115) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one
PubChem CID90078115
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one
SMILESNc1ncc(Br)cc1N1CCOCC1=O
InChIInChI=1S/C9H10BrN3O2/c10-6-3-7(9(11)12-4-6)13-1-2-15-5-8(13)14/h3-4H,1-2,5H2,(H2,11,12)
InChIKeyOBZRNQOZWGIGAV-UHFFFAOYSA-N
XLogP0.79
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one?
The IUPAC name of 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one (CID 90078115) is 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one.
What is the SMILES notation for 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one?
The canonical SMILES for 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one is Nc1ncc(Br)cc1N1CCOCC1=O.
What is the InChIKey of 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one?
The InChIKey is OBZRNQOZWGIGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-6-3-7(9(11)12-4-6)13-1-2-15-5-8(13)14/h3-4H,1-2,5H2,(H2,11,12).
What are the key properties of 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one?
4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one has a molecular weight of 272.10 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 4-(2-amino-5-bromo-3-pyridinyl)morpholin-3-one is sourced from PubChem (CID 90078115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).