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

C6H6FIN2O — CID 129450636

IUPAC(6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESF[C@@H]1COc2c(I)cnn2C1
InChIInChI=1S/C6H6FIN2O/c7-4-2-10-6(11-3-4)5(8)1-9-10/h1,4H,2-3H2/t4-/m0/s1
InChIKeyAFAVZGOGYCQFBO-BYPYZUCNSA-N
MW268.03 g/mol
LogP1.22
Rot. Bonds

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

(6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 129450636) has the molecular formula C6H6FIN2O and a molecular weight of 268.03 g/mol. Its IUPAC name is (6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID129450636
Molecular FormulaC6H6FIN2O
Molecular Weight268.03 g/mol
Exact Mass267.95
IUPAC Name(6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESF[C@@H]1COc2c(I)cnn2C1
InChIInChI=1S/C6H6FIN2O/c7-4-2-10-6(11-3-4)5(8)1-9-10/h1,4H,2-3H2/t4-/m0/s1
InChIKeyAFAVZGOGYCQFBO-BYPYZUCNSA-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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Related Compounds

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
4-iodo-5-methoxy-1-methyl-1H-pyrazole
CID 135235808
3-ethynyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 155819315
3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 128964481
4-Fluoro-1-methyl-5-(2,2,2-trifluoroethoxy)pyrazole
CID 140313059
3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 141083368
1-Ethyl-4-fluoro-5-prop-2-ynoxypyrazole
CID 141420726
5-(Difluoromethoxy)-4-iodo-1-methylpyrazole
CID 141420732
5-Ethoxy-1-ethyl-4-fluoropyrazole
CID 141420740

Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 129450636) is (6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is F[C@@H]1COc2c(I)cnn2C1.
What is the InChIKey of (6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is AFAVZGOGYCQFBO-BYPYZUCNSA-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/t4-/m0/s1.
What are the key properties of (6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(6S)-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 (6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 129450636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).