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

C7H7BrN2O — CID 86688482

IUPAC7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
SMILESBrc1cc2c(cn1)OCCN2
InChIInChI=1S/C7H7BrN2O/c8-7-3-5-6(4-10-7)11-2-1-9-5/h3-4,9H,1-2H2
InChIKeyIGKBDTQESXFWLG-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.65
Rot. Bonds

About 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine

7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine (PubChem CID 86688482) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
PubChem CID86688482
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine
SMILESBrc1cc2c(cn1)OCCN2
InChIInChI=1S/C7H7BrN2O/c8-7-3-5-6(4-10-7)11-2-1-9-5/h3-4,9H,1-2H2
InChIKeyIGKBDTQESXFWLG-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 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine?
The IUPAC name of 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine (CID 86688482) is 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine is Brc1cc2c(cn1)OCCN2.
What is the InChIKey of 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine?
The InChIKey is IGKBDTQESXFWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-7-3-5-6(4-10-7)11-2-1-9-5/h3-4,9H,1-2H2.
What are the key properties of 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine?
7-bromo-2,3-dihydro-1H-pyrido[3,4-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 7-bromo-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 86688482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).