[1-(4-iodophenyl)pyrrol-2-yl]methanol

C11H10INO — CID 893835

IUPAC[1-(4-iodophenyl)pyrrol-2-yl]methanol
SMILESOCc1cccn1-c1ccc(I)cc1
InChIInChI=1S/C11H10INO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-7,14H,8H2
InChIKeyCKCHCFYGGVKTIZ-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.57
Rot. Bonds2

About [1-(4-iodophenyl)pyrrol-2-yl]methanol

[1-(4-iodophenyl)pyrrol-2-yl]methanol (PubChem CID 893835) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is [1-(4-iodophenyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-iodophenyl)pyrrol-2-yl]methanol
PubChem CID893835
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC Name[1-(4-iodophenyl)pyrrol-2-yl]methanol
SMILESOCc1cccn1-c1ccc(I)cc1
InChIInChI=1S/C11H10INO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-7,14H,8H2
InChIKeyCKCHCFYGGVKTIZ-UHFFFAOYSA-N
XLogP2.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-iodophenyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(4-iodophenyl)pyrrol-2-yl]methanol (CID 893835) is [1-(4-iodophenyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(4-iodophenyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(4-iodophenyl)pyrrol-2-yl]methanol is OCc1cccn1-c1ccc(I)cc1.
What is the InChIKey of [1-(4-iodophenyl)pyrrol-2-yl]methanol?
The InChIKey is CKCHCFYGGVKTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-7,14H,8H2.
What are the key properties of [1-(4-iodophenyl)pyrrol-2-yl]methanol?
[1-(4-iodophenyl)pyrrol-2-yl]methanol has a molecular weight of 299.11 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodophenyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 893835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).