7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

C8H8BrClN2O — CID 178157365

IUPAC7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(Br)c(Cl)nc21
InChIInChI=1S/C8H8BrClN2O/c1-12-2-3-13-6-4-5(9)7(10)11-8(6)12/h4H,2-3H2,1H3
InChIKeyOHBREQHLPUDPBC-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.33
Rot. Bonds

About 7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 178157365) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID178157365
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(Br)c(Cl)nc21
InChIInChI=1S/C8H8BrClN2O/c1-12-2-3-13-6-4-5(9)7(10)11-8(6)12/h4H,2-3H2,1H3
InChIKeyOHBREQHLPUDPBC-UHFFFAOYSA-N
XLogP2.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
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-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 178157365) is 7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is CN1CCOc2cc(Br)c(Cl)nc21.
What is the InChIKey of 7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is OHBREQHLPUDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c1-12-2-3-13-6-4-5(9)7(10)11-8(6)12/h4H,2-3H2,1H3.
What are the key properties of 7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 263.52 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 178157365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).