1-(4-iodo-3-methylphenyl)pyrrole

C11H10IN — CID 4763718

IUPAC1-(4-iodo-3-methylphenyl)pyrrole
SMILESCc1cc(-n2cccc2)ccc1I
InChIInChI=1S/C11H10IN/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13/h2-8H,1H3
InChIKeySRNSAVGSPAKDGB-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.39
Rot. Bonds1

About 1-(4-iodo-3-methylphenyl)pyrrole

1-(4-iodo-3-methylphenyl)pyrrole (PubChem CID 4763718) has the molecular formula C11H10IN and a molecular weight of 283.11 g/mol. Its IUPAC name is 1-(4-iodo-3-methylphenyl)pyrrole.

Molecular Properties

Compound Name1-(4-iodo-3-methylphenyl)pyrrole
PubChem CID4763718
Molecular FormulaC11H10IN
Molecular Weight283.11 g/mol
Exact Mass282.99
IUPAC Name1-(4-iodo-3-methylphenyl)pyrrole
SMILESCc1cc(-n2cccc2)ccc1I
InChIInChI=1S/C11H10IN/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13/h2-8H,1H3
InChIKeySRNSAVGSPAKDGB-UHFFFAOYSA-N
XLogP3.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodo-3-methylphenyl)pyrrole?
The IUPAC name of 1-(4-iodo-3-methylphenyl)pyrrole (CID 4763718) is 1-(4-iodo-3-methylphenyl)pyrrole.
What is the SMILES notation for 1-(4-iodo-3-methylphenyl)pyrrole?
The canonical SMILES for 1-(4-iodo-3-methylphenyl)pyrrole is Cc1cc(-n2cccc2)ccc1I.
What is the InChIKey of 1-(4-iodo-3-methylphenyl)pyrrole?
The InChIKey is SRNSAVGSPAKDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13/h2-8H,1H3.
What are the key properties of 1-(4-iodo-3-methylphenyl)pyrrole?
1-(4-iodo-3-methylphenyl)pyrrole has a molecular weight of 283.11 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodo-3-methylphenyl)pyrrole is sourced from PubChem (CID 4763718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).