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

C8H9BrN2O — CID 83823744

IUPAC7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC1CNc2ncc(Br)cc2O1
InChIInChI=1S/C8H9BrN2O/c1-5-3-10-8-7(12-5)2-6(9)4-11-8/h2,4-5H,3H2,1H3,(H,10,11)
InChIKeyXRKWDVFUXUFUQD-UHFFFAOYSA-N
MW229.08 g/mol
LogP2.04
Rot. Bonds

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

7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 83823744) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID83823744
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCC1CNc2ncc(Br)cc2O1
InChIInChI=1S/C8H9BrN2O/c1-5-3-10-8-7(12-5)2-6(9)4-11-8/h2,4-5H,3H2,1H3,(H,10,11)
InChIKeyXRKWDVFUXUFUQD-UHFFFAOYSA-N
XLogP2.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 83823744) is 7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is CC1CNc2ncc(Br)cc2O1.
What is the InChIKey of 7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is XRKWDVFUXUFUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5-3-10-8-7(12-5)2-6(9)4-11-8/h2,4-5H,3H2,1H3,(H,10,11).
What are the key properties of 7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 229.08 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 83823744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).