6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

C15H12BrFN2O2 — CID 86683676

IUPAC6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESO=C1COc2nc(Br)c(-c3ccccc3)cc2N1CCF
InChIInChI=1S/C15H12BrFN2O2/c16-14-11(10-4-2-1-3-5-10)8-12-15(18-14)21-9-13(20)19(12)7-6-17/h1-5,8H,6-7,9H2
InChIKeyNAAPRKPHAWESJO-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.21
Rot. Bonds3

About 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one

6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 86683676) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
PubChem CID86683676
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
SMILESO=C1COc2nc(Br)c(-c3ccccc3)cc2N1CCF
InChIInChI=1S/C15H12BrFN2O2/c16-14-11(10-4-2-1-3-5-10)8-12-15(18-14)21-9-13(20)19(12)7-6-17/h1-5,8H,6-7,9H2
InChIKeyNAAPRKPHAWESJO-UHFFFAOYSA-N
XLogP3.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.21
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 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one (CID 86683676) is 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is O=C1COc2nc(Br)c(-c3ccccc3)cc2N1CCF.
What is the InChIKey of 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is NAAPRKPHAWESJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c16-14-11(10-4-2-1-3-5-10)8-12-15(18-14)21-9-13(20)19(12)7-6-17/h1-5,8H,6-7,9H2.
What are the key properties of 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one?
6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 351.18 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-fluoroethyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 86683676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).