6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one

C7H5BrN2O2 — CID 15925989

IUPAC6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESO=C1COc2nc(Br)ccc2N1
InChIInChI=1S/C7H5BrN2O2/c8-5-2-1-4-7(10-5)12-3-6(11)9-4/h1-2H,3H2,(H,9,11)
InChIKeySFSUNEUWRUJCDV-UHFFFAOYSA-N
MW229.03 g/mol
LogP1.17
Rot. Bonds

About 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one

6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 15925989) has the molecular formula C7H5BrN2O2 and a molecular weight of 229.03 g/mol. Its IUPAC name is 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID15925989
Molecular FormulaC7H5BrN2O2
Molecular Weight229.03 g/mol
Exact Mass227.95
IUPAC Name6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESO=C1COc2nc(Br)ccc2N1
InChIInChI=1S/C7H5BrN2O2/c8-5-2-1-4-7(10-5)12-3-6(11)9-4/h1-2H,3H2,(H,9,11)
InChIKeySFSUNEUWRUJCDV-UHFFFAOYSA-N
XLogP1.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.03
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 15925989) is 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one is O=C1COc2nc(Br)ccc2N1.
What is the InChIKey of 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is SFSUNEUWRUJCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O2/c8-5-2-1-4-7(10-5)12-3-6(11)9-4/h1-2H,3H2,(H,9,11).
What are the key properties of 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one?
6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 229.03 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 15925989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).