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

C7H5BrN2O2 — CID 4590141

IUPAC7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESO=C1COc2ncc(Br)cc2N1
InChIInChI=1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)12-3-6(11)10-5/h1-2H,3H2,(H,10,11)
InChIKeyUTPFXZJAASMEDW-UHFFFAOYSA-N
MW229.03 g/mol
LogP1.17
Rot. Bonds

About 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one

7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 4590141) has the molecular formula C7H5BrN2O2 and a molecular weight of 229.03 g/mol. Its IUPAC name is 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID4590141
Molecular FormulaC7H5BrN2O2
Molecular Weight229.03 g/mol
Exact Mass227.95
IUPAC Name7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESO=C1COc2ncc(Br)cc2N1
InChIInChI=1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)12-3-6(11)10-5/h1-2H,3H2,(H,10,11)
InChIKeyUTPFXZJAASMEDW-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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 4590141) is 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one is O=C1COc2ncc(Br)cc2N1.
What is the InChIKey of 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is UTPFXZJAASMEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)12-3-6(11)10-5/h1-2H,3H2,(H,10,11).
What are the key properties of 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one?
7-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 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 4590141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).