3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C11H9BrFN3O — CID 162760198

IUPAC3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2nn3c(c2Br)COCC3)nc1
InChIInChI=1S/C11H9BrFN3O/c12-10-9-6-17-4-3-16(9)15-11(10)8-2-1-7(13)5-14-8/h1-2,5H,3-4,6H2
InChIKeyHTQMLCZGJISABX-UHFFFAOYSA-N
MW298.11 g/mol
LogP2.38
Rot. Bonds1

About 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760198) has the molecular formula C11H9BrFN3O and a molecular weight of 298.11 g/mol. Its IUPAC name is 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID162760198
Molecular FormulaC11H9BrFN3O
Molecular Weight298.11 g/mol
Exact Mass296.99
IUPAC Name3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2nn3c(c2Br)COCC3)nc1
InChIInChI=1S/C11H9BrFN3O/c12-10-9-6-17-4-3-16(9)15-11(10)8-2-1-7(13)5-14-8/h1-2,5H,3-4,6H2
InChIKeyHTQMLCZGJISABX-UHFFFAOYSA-N
XLogP2.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 52.38
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)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 162760198) is 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is Fc1ccc(-c2nn3c(c2Br)COCC3)nc1.
What is the InChIKey of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is HTQMLCZGJISABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-10-9-6-17-4-3-16(9)15-11(10)8-2-1-7(13)5-14-8/h1-2,5H,3-4,6H2.
What are the key properties of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 298.11 g/mol, XLogP of 2.38, 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)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).