5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine

C9H10IN3 — CID 146560101

IUPAC5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine
SMILESCC(C)n1cc(I)c2ccnnc21
InChIInChI=1S/C9H10IN3/c1-6(2)13-5-8(10)7-3-4-11-12-9(7)13/h3-6H,1-2H3
InChIKeyMPHAYTVTXFLWFX-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.62
Rot. Bonds1

About 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine

5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine (PubChem CID 146560101) has the molecular formula C9H10IN3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine
PubChem CID146560101
Molecular FormulaC9H10IN3
Molecular Weight287.10 g/mol
Exact Mass286.99
IUPAC Name5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine
SMILESCC(C)n1cc(I)c2ccnnc21
InChIInChI=1S/C9H10IN3/c1-6(2)13-5-8(10)7-3-4-11-12-9(7)13/h3-6H,1-2H3
InChIKeyMPHAYTVTXFLWFX-UHFFFAOYSA-N
XLogP2.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine?
The IUPAC name of 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine (CID 146560101) is 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine?
The canonical SMILES for 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine is CC(C)n1cc(I)c2ccnnc21.
What is the InChIKey of 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine?
The InChIKey is MPHAYTVTXFLWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3/c1-6(2)13-5-8(10)7-3-4-11-12-9(7)13/h3-6H,1-2H3.
What are the key properties of 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine?
5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine has a molecular weight of 287.10 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-7-propan-2-ylpyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 146560101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).