2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C15H13IN2 — CID 10807638

IUPAC2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESIc1cccc(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C15H13IN2/c16-12-5-1-4-11(10-12)15(13-6-2-8-17-13)14-7-3-9-18-14/h1-10,15,17-18H
InChIKeySXKCEJLYQXYNHX-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.13
Rot. Bonds3

About 2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 10807638) has the molecular formula C15H13IN2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID10807638
Molecular FormulaC15H13IN2
Molecular Weight348.19 g/mol
Exact Mass348.01
IUPAC Name2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESIc1cccc(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C15H13IN2/c16-12-5-1-4-11(10-12)15(13-6-2-8-17-13)14-7-3-9-18-14/h1-10,15,17-18H
InChIKeySXKCEJLYQXYNHX-UHFFFAOYSA-N
XLogP4.13
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 10807638) is 2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is Ic1cccc(C(c2ccc[nH]2)c2ccc[nH]2)c1.
What is the InChIKey of 2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is SXKCEJLYQXYNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2/c16-12-5-1-4-11(10-12)15(13-6-2-8-17-13)14-7-3-9-18-14/h1-10,15,17-18H.
What are the key properties of 2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 348.19 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 10807638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).