7,8-diiodopyrido[4,3-c]pyridazine

C7H3I2N3 — CID 174195987

IUPAC7,8-diiodopyrido[4,3-c]pyridazine
SMILESIc1ncc2ccnnc2c1I
InChIInChI=1S/C7H3I2N3/c8-5-6-4(1-2-11-12-6)3-10-7(5)9/h1-3H
InChIKeyVPNGAXUDYHWIDZ-UHFFFAOYSA-N
MW382.93 g/mol
LogP2.23
Rot. Bonds

About 7,8-diiodopyrido[4,3-c]pyridazine

7,8-diiodopyrido[4,3-c]pyridazine (PubChem CID 174195987) has the molecular formula C7H3I2N3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 7,8-diiodopyrido[4,3-c]pyridazine.

Molecular Properties

Compound Name7,8-diiodopyrido[4,3-c]pyridazine
PubChem CID174195987
Molecular FormulaC7H3I2N3
Molecular Weight382.93 g/mol
Exact Mass382.84
IUPAC Name7,8-diiodopyrido[4,3-c]pyridazine
SMILESIc1ncc2ccnnc2c1I
InChIInChI=1S/C7H3I2N3/c8-5-6-4(1-2-11-12-6)3-10-7(5)9/h1-3H
InChIKeyVPNGAXUDYHWIDZ-UHFFFAOYSA-N
XLogP2.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-diiodopyrido[4,3-c]pyridazine?
The IUPAC name of 7,8-diiodopyrido[4,3-c]pyridazine (CID 174195987) is 7,8-diiodopyrido[4,3-c]pyridazine.
What is the SMILES notation for 7,8-diiodopyrido[4,3-c]pyridazine?
The canonical SMILES for 7,8-diiodopyrido[4,3-c]pyridazine is Ic1ncc2ccnnc2c1I.
What is the InChIKey of 7,8-diiodopyrido[4,3-c]pyridazine?
The InChIKey is VPNGAXUDYHWIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3I2N3/c8-5-6-4(1-2-11-12-6)3-10-7(5)9/h1-3H.
What are the key properties of 7,8-diiodopyrido[4,3-c]pyridazine?
7,8-diiodopyrido[4,3-c]pyridazine has a molecular weight of 382.93 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diiodopyrido[4,3-c]pyridazine is sourced from PubChem (CID 174195987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).