3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole

C10H12I2N2 — CID 134535174

IUPAC3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole
SMILESCc1c(I)n(C)c2c(I)c(C)n(C)c12
InChIInChI=1S/C10H12I2N2/c1-5-8-9(14(4)10(5)12)7(11)6(2)13(8)3/h1-4H3
InChIKeyHIUQMXQQDONHGK-UHFFFAOYSA-N
MW414.03 g/mol
LogP3.34
Rot. Bonds

About 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole

3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole (PubChem CID 134535174) has the molecular formula C10H12I2N2 and a molecular weight of 414.03 g/mol. Its IUPAC name is 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole
PubChem CID134535174
Molecular FormulaC10H12I2N2
Molecular Weight414.03 g/mol
Exact Mass413.91
IUPAC Name3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole
SMILESCc1c(I)n(C)c2c(I)c(C)n(C)c12
InChIInChI=1S/C10H12I2N2/c1-5-8-9(14(4)10(5)12)7(11)6(2)13(8)3/h1-4H3
InChIKeyHIUQMXQQDONHGK-UHFFFAOYSA-N
XLogP3.34
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.03
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole?
The IUPAC name of 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole (CID 134535174) is 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole.
What is the SMILES notation for 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole?
The canonical SMILES for 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole is Cc1c(I)n(C)c2c(I)c(C)n(C)c12.
What is the InChIKey of 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole?
The InChIKey is HIUQMXQQDONHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12I2N2/c1-5-8-9(14(4)10(5)12)7(11)6(2)13(8)3/h1-4H3.
What are the key properties of 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole?
3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole has a molecular weight of 414.03 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diiodo-1,2,4,6-tetramethylpyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 134535174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).