2-iodo-1-methyl-3-phenylpyrrole

C11H10IN — CID 139840250

IUPAC2-iodo-1-methyl-3-phenylpyrrole
SMILESCn1ccc(-c2ccccc2)c1I
InChIInChI=1S/C11H10IN/c1-13-8-7-10(11(13)12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyBFZMELJDURZWQG-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.30
Rot. Bonds1

About 2-iodo-1-methyl-3-phenylpyrrole

2-iodo-1-methyl-3-phenylpyrrole (PubChem CID 139840250) has the molecular formula C11H10IN and a molecular weight of 283.11 g/mol. Its IUPAC name is 2-iodo-1-methyl-3-phenylpyrrole.

Molecular Properties

Compound Name2-iodo-1-methyl-3-phenylpyrrole
PubChem CID139840250
Molecular FormulaC11H10IN
Molecular Weight283.11 g/mol
Exact Mass282.99
IUPAC Name2-iodo-1-methyl-3-phenylpyrrole
SMILESCn1ccc(-c2ccccc2)c1I
InChIInChI=1S/C11H10IN/c1-13-8-7-10(11(13)12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyBFZMELJDURZWQG-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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-iodo-1-methyl-3-phenylpyrrole?
The IUPAC name of 2-iodo-1-methyl-3-phenylpyrrole (CID 139840250) is 2-iodo-1-methyl-3-phenylpyrrole.
What is the SMILES notation for 2-iodo-1-methyl-3-phenylpyrrole?
The canonical SMILES for 2-iodo-1-methyl-3-phenylpyrrole is Cn1ccc(-c2ccccc2)c1I.
What is the InChIKey of 2-iodo-1-methyl-3-phenylpyrrole?
The InChIKey is BFZMELJDURZWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN/c1-13-8-7-10(11(13)12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-iodo-1-methyl-3-phenylpyrrole?
2-iodo-1-methyl-3-phenylpyrrole has a molecular weight of 283.11 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methyl-3-phenylpyrrole is sourced from PubChem (CID 139840250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).