6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine

C8H11IN2O3 — CID 163699213

IUPAC6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine
SMILESCOCCOc1nnc(I)cc1OC
InChIInChI=1S/C8H11IN2O3/c1-12-3-4-14-8-6(13-2)5-7(9)10-11-8/h5H,3-4H2,1-2H3
InChIKeyJZNMKCTYYXZKTG-UHFFFAOYSA-N
MW310.09 g/mol
LogP1.12
Rot. Bonds5

About 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine

6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine (PubChem CID 163699213) has the molecular formula C8H11IN2O3 and a molecular weight of 310.09 g/mol. Its IUPAC name is 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine.

Molecular Properties

Compound Name6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine
PubChem CID163699213
Molecular FormulaC8H11IN2O3
Molecular Weight310.09 g/mol
Exact Mass309.98
IUPAC Name6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine
SMILESCOCCOc1nnc(I)cc1OC
InChIInChI=1S/C8H11IN2O3/c1-12-3-4-14-8-6(13-2)5-7(9)10-11-8/h5H,3-4H2,1-2H3
InChIKeyJZNMKCTYYXZKTG-UHFFFAOYSA-N
XLogP1.12
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine?
The IUPAC name of 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine (CID 163699213) is 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine.
What is the SMILES notation for 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine?
The canonical SMILES for 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine is COCCOc1nnc(I)cc1OC.
What is the InChIKey of 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine?
The InChIKey is JZNMKCTYYXZKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O3/c1-12-3-4-14-8-6(13-2)5-7(9)10-11-8/h5H,3-4H2,1-2H3.
What are the key properties of 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine?
6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine has a molecular weight of 310.09 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-4-methoxy-3-(2-methoxyethoxy)pyridazine is sourced from PubChem (CID 163699213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).