1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol

C20H14INO2 — CID 57340426

IUPAC1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(I)cc1)(c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C20H14INO2/c21-17-9-7-15(8-10-17)20(23,16-5-3-11-22-13-16)19-12-14-4-1-2-6-18(14)24-19/h1-13,23H
InChIKeyHLMTYZYGRSHBML-UHFFFAOYSA-N
MW427.24 g/mol
LogP4.72
Rot. Bonds3

About 1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol

1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol (PubChem CID 57340426) has the molecular formula C20H14INO2 and a molecular weight of 427.24 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol
PubChem CID57340426
Molecular FormulaC20H14INO2
Molecular Weight427.24 g/mol
Exact Mass427.01
IUPAC Name1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(I)cc1)(c1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C20H14INO2/c21-17-9-7-15(8-10-17)20(23,16-5-3-11-22-13-16)19-12-14-4-1-2-6-18(14)24-19/h1-13,23H
InChIKeyHLMTYZYGRSHBML-UHFFFAOYSA-N
XLogP4.72
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol?
The IUPAC name of 1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol (CID 57340426) is 1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for 1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for 1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol is OC(c1ccc(I)cc1)(c1cccnc1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol?
The InChIKey is HLMTYZYGRSHBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14INO2/c21-17-9-7-15(8-10-17)20(23,16-5-3-11-22-13-16)19-12-14-4-1-2-6-18(14)24-19/h1-13,23H.
What are the key properties of 1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol?
1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol has a molecular weight of 427.24 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-iodophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 57340426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).