diethyl 3-iodopyridazine-4,5-dicarboxylate

C10H11IN2O4 — CID 11405390

IUPACdiethyl 3-iodopyridazine-4,5-dicarboxylate
SMILESCCOC(=O)c1cnnc(I)c1C(=O)OCC
InChIInChI=1S/C10H11IN2O4/c1-3-16-9(14)6-5-12-13-8(11)7(6)10(15)17-4-2/h5H,3-4H2,1-2H3
InChIKeyHWPFOTUQQIJLBG-UHFFFAOYSA-N
MW350.11 g/mol
LogP1.43
Rot. Bonds4

About diethyl 3-iodopyridazine-4,5-dicarboxylate

diethyl 3-iodopyridazine-4,5-dicarboxylate (PubChem CID 11405390) has the molecular formula C10H11IN2O4 and a molecular weight of 350.11 g/mol. Its IUPAC name is diethyl 3-iodopyridazine-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-iodopyridazine-4,5-dicarboxylate
PubChem CID11405390
Molecular FormulaC10H11IN2O4
Molecular Weight350.11 g/mol
Exact Mass349.98
IUPAC Namediethyl 3-iodopyridazine-4,5-dicarboxylate
SMILESCCOC(=O)c1cnnc(I)c1C(=O)OCC
InChIInChI=1S/C10H11IN2O4/c1-3-16-9(14)6-5-12-13-8(11)7(6)10(15)17-4-2/h5H,3-4H2,1-2H3
InChIKeyHWPFOTUQQIJLBG-UHFFFAOYSA-N
XLogP1.43
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-iodopyridazine-4-carboxylate
CID 15882193
diethyl phthalazine-6,7-dicarboxylate
CID 13115748
ethyl 5-methylpyridazine-3-carboxylate
CID 150390069
ethyl 7H-pyrrolo[2,3-c]pyridazine-4-carboxylate
CID 172558612
ethyl 5-(bromomethyl)pyridazine-4-carboxylate
CID 171935367
ethyl 5-aminopyridazine-3-carboxylate
CID 58897536
ethyl 5-iodo-3-methyltriazole-4-carboxylate
CID 90298564
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 4-fluoro-6-iodopyridine-3-carboxylate
CID 131189599
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
3-acetyl-5-ethoxycarbonyl-2-methylpyridine-4-carboxylic acid
CID 24973251
ethyl 5-(difluoromethyl)-2-iodo-4-nitropyridine-3-carboxylate
CID 133101586

Frequently Asked Questions

What is the IUPAC name of diethyl 3-iodopyridazine-4,5-dicarboxylate?
The IUPAC name of diethyl 3-iodopyridazine-4,5-dicarboxylate (CID 11405390) is diethyl 3-iodopyridazine-4,5-dicarboxylate.
What is the SMILES notation for diethyl 3-iodopyridazine-4,5-dicarboxylate?
The canonical SMILES for diethyl 3-iodopyridazine-4,5-dicarboxylate is CCOC(=O)c1cnnc(I)c1C(=O)OCC.
What is the InChIKey of diethyl 3-iodopyridazine-4,5-dicarboxylate?
The InChIKey is HWPFOTUQQIJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O4/c1-3-16-9(14)6-5-12-13-8(11)7(6)10(15)17-4-2/h5H,3-4H2,1-2H3.
What are the key properties of diethyl 3-iodopyridazine-4,5-dicarboxylate?
diethyl 3-iodopyridazine-4,5-dicarboxylate has a molecular weight of 350.11 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-iodopyridazine-4,5-dicarboxylate is sourced from PubChem (CID 11405390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).