3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C12H11BrFN3O — CID 162760424

IUPAC3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC1COc2c(Br)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C12H11BrFN3O/c1-7-5-17-12(18-6-7)10(13)11(16-17)9-3-2-8(14)4-15-9/h2-4,7H,5-6H2,1H3
InChIKeyJQIQJOLVZBYKOG-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.88
Rot. Bonds1

About 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 162760424) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID162760424
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC1COc2c(Br)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C12H11BrFN3O/c1-7-5-17-12(18-6-7)10(13)11(16-17)9-3-2-8(14)4-15-9/h2-4,7H,5-6H2,1H3
InChIKeyJQIQJOLVZBYKOG-UHFFFAOYSA-N
XLogP2.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 162760424) is 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC1COc2c(Br)c(-c3ccc(F)cn3)nn2C1.
What is the InChIKey of 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is JQIQJOLVZBYKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-7-5-17-12(18-6-7)10(13)11(16-17)9-3-2-8(14)4-15-9/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 312.14 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(5-fluoro-2-pyridinyl)-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 162760424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).