3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine

C8H9IN2O2 — CID 59277501

IUPAC3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine
SMILESIc1ccc(O[C@@H]2CCOC2)nn1
InChIInChI=1S/C8H9IN2O2/c9-7-1-2-8(11-10-7)13-6-3-4-12-5-6/h1-2,6H,3-5H2/t6-/m1/s1
InChIKeySUMSGSFQNGNBER-ZCFIWIBFSA-N
MW292.08 g/mol
LogP1.25
Rot. Bonds2

About 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine

3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine (PubChem CID 59277501) has the molecular formula C8H9IN2O2 and a molecular weight of 292.08 g/mol. Its IUPAC name is 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine
PubChem CID59277501
Molecular FormulaC8H9IN2O2
Molecular Weight292.08 g/mol
Exact Mass291.97
IUPAC Name3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine
SMILESIc1ccc(O[C@@H]2CCOC2)nn1
InChIInChI=1S/C8H9IN2O2/c9-7-1-2-8(11-10-7)13-6-3-4-12-5-6/h1-2,6H,3-5H2/t6-/m1/s1
InChIKeySUMSGSFQNGNBER-ZCFIWIBFSA-N
XLogP1.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.25
H-Bond Donors ≤ 50
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 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine?
The IUPAC name of 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine (CID 59277501) is 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine.
What is the SMILES notation for 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine?
The canonical SMILES for 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine is Ic1ccc(O[C@@H]2CCOC2)nn1.
What is the InChIKey of 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine?
The InChIKey is SUMSGSFQNGNBER-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9IN2O2/c9-7-1-2-8(11-10-7)13-6-3-4-12-5-6/h1-2,6H,3-5H2/t6-/m1/s1.
What are the key properties of 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine?
3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine has a molecular weight of 292.08 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-[(3R)-oxolan-3-yl]oxypyridazine is sourced from PubChem (CID 59277501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).