3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

C11H7BrFN3O2 — CID 162760541

IUPAC3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESO=C1OCCn2nc(-c3ccc(F)cn3)c(Br)c21
InChIInChI=1S/C11H7BrFN3O2/c12-8-9(7-2-1-6(13)5-14-7)15-16-3-4-18-11(17)10(8)16/h1-2,5H,3-4H2
InChIKeyYUZVDWKGZBMYTI-UHFFFAOYSA-N
MW312.10 g/mol
LogP2.02
Rot. Bonds1

About 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (PubChem CID 162760541) has the molecular formula C11H7BrFN3O2 and a molecular weight of 312.10 g/mol. Its IUPAC name is 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
PubChem CID162760541
Molecular FormulaC11H7BrFN3O2
Molecular Weight312.10 g/mol
Exact Mass310.97
IUPAC Name3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESO=C1OCCn2nc(-c3ccc(F)cn3)c(Br)c21
InChIInChI=1S/C11H7BrFN3O2/c12-8-9(7-2-1-6(13)5-14-7)15-16-3-4-18-11(17)10(8)16/h1-2,5H,3-4H2
InChIKeyYUZVDWKGZBMYTI-UHFFFAOYSA-N
XLogP2.02
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The IUPAC name of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (CID 162760541) is 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The canonical SMILES for 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is O=C1OCCn2nc(-c3ccc(F)cn3)c(Br)c21.
What is the InChIKey of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The InChIKey is YUZVDWKGZBMYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O2/c12-8-9(7-2-1-6(13)5-14-7)15-16-3-4-18-11(17)10(8)16/h1-2,5H,3-4H2.
What are the key properties of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one has a molecular weight of 312.10 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 162760541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).