1,2-diiodo-5-methylpyrrole

C5H5I2N — CID 129082852

IUPAC1,2-diiodo-5-methylpyrrole
SMILESCc1ccc(I)n1I
InChIInChI=1S/C5H5I2N/c1-4-2-3-5(6)8(4)7/h2-3H,1H3
InChIKeyIADDRSLCVRLEQL-UHFFFAOYSA-N
MW332.91 g/mol
LogP2.60
Rot. Bonds

About 1,2-diiodo-5-methylpyrrole

1,2-diiodo-5-methylpyrrole (PubChem CID 129082852) has the molecular formula C5H5I2N and a molecular weight of 332.91 g/mol. Its IUPAC name is 1,2-diiodo-5-methylpyrrole.

Molecular Properties

Compound Name1,2-diiodo-5-methylpyrrole
PubChem CID129082852
Molecular FormulaC5H5I2N
Molecular Weight332.91 g/mol
Exact Mass332.85
IUPAC Name1,2-diiodo-5-methylpyrrole
SMILESCc1ccc(I)n1I
InChIInChI=1S/C5H5I2N/c1-4-2-3-5(6)8(4)7/h2-3H,1H3
InChIKeyIADDRSLCVRLEQL-UHFFFAOYSA-N
XLogP2.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.91
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-diiodo-1-methylpyrrole
CID 14092853
1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole
CID 23399439
2,5-dimethyl-1-(2,4,5-trimethylphenyl)pyrrole
CID 142803511
2,5-dimethyl-1-(1,1,1-trideuteriopropan-2-yl)pyrrole
CID 175931315
9-iodo-3,6-dimethylcarbazole
CID 129082868
2-methyl-1,5-di(propan-2-yl)pyrrole
CID 91672099
(E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine
CID 20789347
1-(difluoromethyl)-2,5-dimethylpyrrole
CID 146323567
1,5-diiodo-2-methylimidazo[4,5-b]pyridine
CID 167003285
(2,5-dimethylpyrrol-1-yl)methanol
CID 15749502
1-(2-bromo-4-iodophenyl)-2,5-dimethylpyrrole
CID 130160897
3,7-dimethylindolizine
CID 59539272

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-5-methylpyrrole?
The IUPAC name of 1,2-diiodo-5-methylpyrrole (CID 129082852) is 1,2-diiodo-5-methylpyrrole.
What is the SMILES notation for 1,2-diiodo-5-methylpyrrole?
The canonical SMILES for 1,2-diiodo-5-methylpyrrole is Cc1ccc(I)n1I.
What is the InChIKey of 1,2-diiodo-5-methylpyrrole?
The InChIKey is IADDRSLCVRLEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5I2N/c1-4-2-3-5(6)8(4)7/h2-3H,1H3.
What are the key properties of 1,2-diiodo-5-methylpyrrole?
1,2-diiodo-5-methylpyrrole has a molecular weight of 332.91 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodo-5-methylpyrrole is sourced from PubChem (CID 129082852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).