2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone

C13H10FN3O2 — CID 71979229

IUPAC2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCOc2ncccc21
InChIInChI=1S/C13H10FN3O2/c14-10-8-15-5-3-9(10)13(18)17-6-7-19-12-11(17)2-1-4-16-12/h1-5,8H,6-7H2
InChIKeyUZIWUKOPHMTKBL-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.65
Rot. Bonds1

About 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone

2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone (PubChem CID 71979229) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone
PubChem CID71979229
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)N1CCOc2ncccc21
InChIInChI=1S/C13H10FN3O2/c14-10-8-15-5-3-9(10)13(18)17-6-7-19-12-11(17)2-1-4-16-12/h1-5,8H,6-7H2
InChIKeyUZIWUKOPHMTKBL-UHFFFAOYSA-N
XLogP1.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone (CID 71979229) is 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)N1CCOc2ncccc21.
What is the InChIKey of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is UZIWUKOPHMTKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c14-10-8-15-5-3-9(10)13(18)17-6-7-19-12-11(17)2-1-4-16-12/h1-5,8H,6-7H2.
What are the key properties of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone?
2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 259.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 71979229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).