2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C15H12BrIN2 — CID 171371778

IUPAC2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESBrc1ccc(I)c(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C15H12BrIN2/c16-10-5-6-12(17)11(9-10)15(13-3-1-7-18-13)14-4-2-8-19-14/h1-9,15,18-19H
InChIKeyRXMUWFYAVPIYQV-UHFFFAOYSA-N
MW427.08 g/mol
LogP4.89
Rot. Bonds3

About 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 171371778) has the molecular formula C15H12BrIN2 and a molecular weight of 427.08 g/mol. Its IUPAC name is 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID171371778
Molecular FormulaC15H12BrIN2
Molecular Weight427.08 g/mol
Exact Mass425.92
IUPAC Name2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESBrc1ccc(I)c(C(c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C15H12BrIN2/c16-10-5-6-12(17)11(9-10)15(13-3-1-7-18-13)14-4-2-8-19-14/h1-9,15,18-19H
InChIKeyRXMUWFYAVPIYQV-UHFFFAOYSA-N
XLogP4.89
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.08
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-2-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371714
2-[(5-bromo-2,3-difluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371892
2-[(2-bromo-5-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371977
(1S)-1-(5-bromo-2-iodophenyl)ethanamine
CID 130737837
2-[(3-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 10807638
(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol
CID 115369760
(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine
CID 131123838
N-[(2,4-dibromophenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine
CID 112742724
1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
CID 114033074
2-[(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371823
1-(5-bromo-2-iodophenyl)-3-chloropropan-1-ol
CID 155043896
(3R)-3-amino-3-(5-bromo-2-iodophenyl)propanenitrile
CID 131218502

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 171371778) is 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is Brc1ccc(I)c(C(c2ccc[nH]2)c2ccc[nH]2)c1.
What is the InChIKey of 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is RXMUWFYAVPIYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIN2/c16-10-5-6-12(17)11(9-10)15(13-3-1-7-18-13)14-4-2-8-19-14/h1-9,15,18-19H.
What are the key properties of 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 427.08 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 171371778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).