2-(2-iodophenyl)-1,3-dimethylpyrrole

C12H12IN — CID 144995528

IUPAC2-(2-iodophenyl)-1,3-dimethylpyrrole
SMILESCc1ccn(C)c1-c1ccccc1I
InChIInChI=1S/C12H12IN/c1-9-7-8-14(2)12(9)10-5-3-4-6-11(10)13/h3-8H,1-2H3
InChIKeyYGNXIUNBSGDZQT-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.61
Rot. Bonds1

About 2-(2-iodophenyl)-1,3-dimethylpyrrole

2-(2-iodophenyl)-1,3-dimethylpyrrole (PubChem CID 144995528) has the molecular formula C12H12IN and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-(2-iodophenyl)-1,3-dimethylpyrrole.

Molecular Properties

Compound Name2-(2-iodophenyl)-1,3-dimethylpyrrole
PubChem CID144995528
Molecular FormulaC12H12IN
Molecular Weight297.14 g/mol
Exact Mass297.00
IUPAC Name2-(2-iodophenyl)-1,3-dimethylpyrrole
SMILESCc1ccn(C)c1-c1ccccc1I
InChIInChI=1S/C12H12IN/c1-9-7-8-14(2)12(9)10-5-3-4-6-11(10)13/h3-8H,1-2H3
InChIKeyYGNXIUNBSGDZQT-UHFFFAOYSA-N
XLogP3.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.61
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 2-(2-iodophenyl)-1,3-dimethylpyrrole?
The IUPAC name of 2-(2-iodophenyl)-1,3-dimethylpyrrole (CID 144995528) is 2-(2-iodophenyl)-1,3-dimethylpyrrole.
What is the SMILES notation for 2-(2-iodophenyl)-1,3-dimethylpyrrole?
The canonical SMILES for 2-(2-iodophenyl)-1,3-dimethylpyrrole is Cc1ccn(C)c1-c1ccccc1I.
What is the InChIKey of 2-(2-iodophenyl)-1,3-dimethylpyrrole?
The InChIKey is YGNXIUNBSGDZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN/c1-9-7-8-14(2)12(9)10-5-3-4-6-11(10)13/h3-8H,1-2H3.
What are the key properties of 2-(2-iodophenyl)-1,3-dimethylpyrrole?
2-(2-iodophenyl)-1,3-dimethylpyrrole has a molecular weight of 297.14 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-1,3-dimethylpyrrole is sourced from PubChem (CID 144995528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).