6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one

C10H9BrN2O2 — CID 167003441

IUPAC6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one
SMILESO=C1Nc2nc(Br)ccc2OC12CCC2
InChIInChI=1S/C10H9BrN2O2/c11-7-3-2-6-8(12-7)13-9(14)10(15-6)4-1-5-10/h2-3H,1,4-5H2,(H,12,13,14)
InChIKeySERKCGYUAUZZBG-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.10
Rot. Bonds

About 6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one

6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one (PubChem CID 167003441) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one.

Molecular Properties

Compound Name6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one
PubChem CID167003441
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one
SMILESO=C1Nc2nc(Br)ccc2OC12CCC2
InChIInChI=1S/C10H9BrN2O2/c11-7-3-2-6-8(12-7)13-9(14)10(15-6)4-1-5-10/h2-3H,1,4-5H2,(H,12,13,14)
InChIKeySERKCGYUAUZZBG-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.10
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-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one?
The IUPAC name of 6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one (CID 167003441) is 6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one.
What is the SMILES notation for 6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one?
The canonical SMILES for 6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one is O=C1Nc2nc(Br)ccc2OC12CCC2.
What is the InChIKey of 6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one?
The InChIKey is SERKCGYUAUZZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-3-2-6-8(12-7)13-9(14)10(15-6)4-1-5-10/h2-3H,1,4-5H2,(H,12,13,14).
What are the key properties of 6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one?
6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one has a molecular weight of 269.10 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one is sourced from PubChem (CID 167003441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).