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

C6H6FIN2O — CID 131497275

IUPAC6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESFC1COc2c(I)cnn2C1
InChIInChI=1S/C6H6FIN2O/c7-4-2-10-6(11-3-4)5(8)1-9-10/h1,4H,2-3H2
InChIKeyAFAVZGOGYCQFBO-UHFFFAOYSA-N
MW268.03 g/mol
LogP1.22
Rot. Bonds

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

6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 131497275) has the molecular formula C6H6FIN2O and a molecular weight of 268.03 g/mol. Its IUPAC name is 6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID131497275
Molecular FormulaC6H6FIN2O
Molecular Weight268.03 g/mol
Exact Mass267.95
IUPAC Name6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESFC1COc2c(I)cnn2C1
InChIInChI=1S/C6H6FIN2O/c7-4-2-10-6(11-3-4)5(8)1-9-10/h1,4H,2-3H2
InChIKeyAFAVZGOGYCQFBO-UHFFFAOYSA-N
XLogP1.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 131497275) is 6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is FC1COc2c(I)cnn2C1.
What is the InChIKey of 6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is AFAVZGOGYCQFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FIN2O/c7-4-2-10-6(11-3-4)5(8)1-9-10/h1,4H,2-3H2.
What are the key properties of 6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 268.03 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 131497275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).