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

C6H6BrFN2O — CID 128964481

IUPAC3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESFC1COc2c(Br)cnn2C1
InChIInChI=1S/C6H6BrFN2O/c7-5-1-9-10-2-4(8)3-11-6(5)10/h1,4H,2-3H2
InChIKeyFFJIVDWMCPXJAJ-UHFFFAOYSA-N
MW221.03 g/mol
LogP1.38
Rot. Bonds

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

3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 128964481) has the molecular formula C6H6BrFN2O and a molecular weight of 221.03 g/mol. Its IUPAC name is 3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID128964481
Molecular FormulaC6H6BrFN2O
Molecular Weight221.03 g/mol
Exact Mass219.96
IUPAC Name3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESFC1COc2c(Br)cnn2C1
InChIInChI=1S/C6H6BrFN2O/c7-5-1-9-10-2-4(8)3-11-6(5)10/h1,4H,2-3H2
InChIKeyFFJIVDWMCPXJAJ-UHFFFAOYSA-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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Related Compounds

4-Bromo-5-methoxy-1-methyl-1H-pyrazole
CID 13131235
5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine
CID 69188689
3-bromo-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 84040282
3-iodo-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 124155298
3-iodo-6-methyl-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine
CID 131285456
3-ethynyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 155819315
(6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 129450636
4-Bromo-5-(difluoromethoxy)-1-methylpyrazole
CID 91806612
3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 141083368
5-Ethoxy-1-ethyl-4-fluoropyrazole
CID 141420740
6-fluoro-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146618025
4-Bromo-5-(2,2-difluoroethoxy)-1-ethylpyrazole
CID 151256853

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 128964481) is 3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is FC1COc2c(Br)cnn2C1.
What is the InChIKey of 3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is FFJIVDWMCPXJAJ-UHFFFAOYSA-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.
What are the key properties of 3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
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 3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 128964481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).