6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C7H7BrN2O — CID 20824376

IUPAC6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESBrc1ccc2c(n1)NCCO2
InChIInChI=1S/C7H7BrN2O/c8-6-2-1-5-7(10-6)9-3-4-11-5/h1-2H,3-4H2,(H,9,10)
InChIKeyOTGDCHNSXQUISE-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.65
Rot. Bonds

About 6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 20824376) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID20824376
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESBrc1ccc2c(n1)NCCO2
InChIInChI=1S/C7H7BrN2O/c8-6-2-1-5-7(10-6)9-3-4-11-5/h1-2H,3-4H2,(H,9,10)
InChIKeyOTGDCHNSXQUISE-UHFFFAOYSA-N
XLogP1.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.65
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-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 20824376) is 6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Brc1ccc2c(n1)NCCO2.
What is the InChIKey of 6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is OTGDCHNSXQUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-6-2-1-5-7(10-6)9-3-4-11-5/h1-2H,3-4H2,(H,9,10).
What are the key properties of 6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 215.05 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 20824376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).