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

C6H6BrFN2O — CID 124932089

IUPAC(6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESF[C@@H]1COc2c(Br)cnn2C1
InChIInChI=1S/C6H6BrFN2O/c7-5-1-9-10-2-4(8)3-11-6(5)10/h1,4H,2-3H2/t4-/m0/s1
InChIKeyFFJIVDWMCPXJAJ-BYPYZUCNSA-N
MW221.03 g/mol
LogP1.38
Rot. Bonds

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

(6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 124932089) has the molecular formula C6H6BrFN2O and a molecular weight of 221.03 g/mol. Its IUPAC name is (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID124932089
Molecular FormulaC6H6BrFN2O
Molecular Weight221.03 g/mol
Exact Mass219.96
IUPAC Name(6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESF[C@@H]1COc2c(Br)cnn2C1
InChIInChI=1S/C6H6BrFN2O/c7-5-1-9-10-2-4(8)3-11-6(5)10/h1,4H,2-3H2/t4-/m0/s1
InChIKeyFFJIVDWMCPXJAJ-BYPYZUCNSA-N
XLogP1.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.03
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 124932089) is (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is F[C@@H]1COc2c(Br)cnn2C1.
What is the InChIKey of (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is FFJIVDWMCPXJAJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H6BrFN2O/c7-5-1-9-10-2-4(8)3-11-6(5)10/h1,4H,2-3H2/t4-/m0/s1.
What are the key properties of (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 221.03 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 124932089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).