7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

C8H9BrN2O — CID 135343188

IUPAC7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCc1c(Br)cnc2c1NCCO2
InChIInChI=1S/C8H9BrN2O/c1-5-6(9)4-11-8-7(5)10-2-3-12-8/h4,10H,2-3H2,1H3
InChIKeyZHHLHPRVXSRETL-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.96
Rot. Bonds

About 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine

7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (PubChem CID 135343188) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
PubChem CID135343188
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
SMILESCc1c(Br)cnc2c1NCCO2
InChIInChI=1S/C8H9BrN2O/c1-5-6(9)4-11-8-7(5)10-2-3-12-8/h4,10H,2-3H2,1H3
InChIKeyZHHLHPRVXSRETL-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The IUPAC name of 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine (CID 135343188) is 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is Cc1c(Br)cnc2c1NCCO2.
What is the InChIKey of 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
The InChIKey is ZHHLHPRVXSRETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5-6(9)4-11-8-7(5)10-2-3-12-8/h4,10H,2-3H2,1H3.
What are the key properties of 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine?
7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine has a molecular weight of 229.08 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 135343188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).