1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone

C14H12FN3O2 — CID 86305717

IUPAC1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone
SMILESCC(=O)N1CCOc2cc(-c3cncc(F)c3)cnc21
InChIInChI=1S/C14H12FN3O2/c1-9(19)18-2-3-20-13-5-11(7-17-14(13)18)10-4-12(15)8-16-6-10/h4-8H,2-3H2,1H3
InChIKeyMUMWJZLXOIABQC-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.03
Rot. Bonds1

About 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone

1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone (PubChem CID 86305717) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone
PubChem CID86305717
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone
SMILESCC(=O)N1CCOc2cc(-c3cncc(F)c3)cnc21
InChIInChI=1S/C14H12FN3O2/c1-9(19)18-2-3-20-13-5-11(7-17-14(13)18)10-4-12(15)8-16-6-10/h4-8H,2-3H2,1H3
InChIKeyMUMWJZLXOIABQC-UHFFFAOYSA-N
XLogP2.03
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone?
The IUPAC name of 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone (CID 86305717) is 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone.
What is the SMILES notation for 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone?
The canonical SMILES for 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone is CC(=O)N1CCOc2cc(-c3cncc(F)c3)cnc21.
What is the InChIKey of 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone?
The InChIKey is MUMWJZLXOIABQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-9(19)18-2-3-20-13-5-11(7-17-14(13)18)10-4-12(15)8-16-6-10/h4-8H,2-3H2,1H3.
What are the key properties of 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone?
1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone has a molecular weight of 273.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-fluoro-3-pyridinyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]ethanone is sourced from PubChem (CID 86305717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).