1-benzofuran-5-carbonyl iodide

C9H5IO2 — CID 143843606

IUPAC1-benzofuran-5-carbonyl iodide
SMILESO=C(I)c1ccc2occc2c1
InChIInChI=1S/C9H5IO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChIKeyBYEGPBFISQEKEM-UHFFFAOYSA-N
MW272.04 g/mol
LogP3.01
Rot. Bonds1

About 1-benzofuran-5-carbonyl iodide

1-benzofuran-5-carbonyl iodide (PubChem CID 143843606) has the molecular formula C9H5IO2 and a molecular weight of 272.04 g/mol. Its IUPAC name is 1-benzofuran-5-carbonyl iodide.

Molecular Properties

Compound Name1-benzofuran-5-carbonyl iodide
PubChem CID143843606
Molecular FormulaC9H5IO2
Molecular Weight272.04 g/mol
Exact Mass271.93
IUPAC Name1-benzofuran-5-carbonyl iodide
SMILESO=C(I)c1ccc2occc2c1
InChIInChI=1S/C9H5IO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChIKeyBYEGPBFISQEKEM-UHFFFAOYSA-N
XLogP3.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.04
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzofuran-5-yl)prop-2-enoic acid
CID 23452675
1-(1-benzofuran-5-yl)octan-1-one
CID 155672495
1-benzofuran-5-yl(cyclohexyl)methanone
CID 155672493
N-methoxy-N-methyl-1-benzofuran-5-carboxamide
CID 59186071
1-(1-benzofuran-5-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 169069289
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
N-(2-methylpropyl)-1-benzofuran-5-carboxamide
CID 171399931
1-benzofuran-5-ol
CID 11651159
2-[3-(1-benzofuran-5-carbonyl)pyrrol-1-yl]acetic acid
CID 11097576
1-(1-benzofuran-5-yl)-4,4-dichloro-2-(methylamino)butan-1-one
CID 166892597
1-(1-benzofuran-5-yl)-4,4,4-trichloro-2-(methylamino)butan-1-one
CID 166892596
1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363754

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-carbonyl iodide?
The IUPAC name of 1-benzofuran-5-carbonyl iodide (CID 143843606) is 1-benzofuran-5-carbonyl iodide.
What is the SMILES notation for 1-benzofuran-5-carbonyl iodide?
The canonical SMILES for 1-benzofuran-5-carbonyl iodide is O=C(I)c1ccc2occc2c1.
What is the InChIKey of 1-benzofuran-5-carbonyl iodide?
The InChIKey is BYEGPBFISQEKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IO2/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H.
What are the key properties of 1-benzofuran-5-carbonyl iodide?
1-benzofuran-5-carbonyl iodide has a molecular weight of 272.04 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-carbonyl iodide is sourced from PubChem (CID 143843606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).