(6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol

C6H7IN2O2 — CID 129451883

IUPAC(6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol
SMILESO[C@H]1COc2c(I)cnn2C1
InChIInChI=1S/C6H7IN2O2/c7-5-1-8-9-2-4(10)3-11-6(5)9/h1,4,10H,2-3H2/t4-/m1/s1
InChIKeyQDCPJYXDYVRWNW-SCSAIBSYSA-N
MW266.04 g/mol
LogP0.24
Rot. Bonds

About (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol

(6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol (PubChem CID 129451883) has the molecular formula C6H7IN2O2 and a molecular weight of 266.04 g/mol. Its IUPAC name is (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol.

Molecular Properties

Compound Name(6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol
PubChem CID129451883
Molecular FormulaC6H7IN2O2
Molecular Weight266.04 g/mol
Exact Mass265.96
IUPAC Name(6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol
SMILESO[C@H]1COc2c(I)cnn2C1
InChIInChI=1S/C6H7IN2O2/c7-5-1-8-9-2-4(10)3-11-6(5)9/h1,4,10H,2-3H2/t4-/m1/s1
InChIKeyQDCPJYXDYVRWNW-SCSAIBSYSA-N
XLogP0.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol?
The IUPAC name of (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol (CID 129451883) is (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol.
What is the SMILES notation for (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol?
The canonical SMILES for (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol is O[C@H]1COc2c(I)cnn2C1.
What is the InChIKey of (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol?
The InChIKey is QDCPJYXDYVRWNW-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H7IN2O2/c7-5-1-8-9-2-4(10)3-11-6(5)9/h1,4,10H,2-3H2/t4-/m1/s1.
What are the key properties of (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol?
(6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol has a molecular weight of 266.04 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol is sourced from PubChem (CID 129451883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).