(2-iodo-1-benzofuran-5-yl)chloranium

C8H5ClIO+ — CID 147151830

IUPAC(2-iodo-1-benzofuran-5-yl)chloranium
SMILES[ClH+]c1ccc2oc(I)cc2c1
InChIInChI=1S/C8H5ClIO/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4,9H/q+1
InChIKeyBUDGOLZVQHDLCA-UHFFFAOYSA-N
MW279.48 g/mol
LogP2.73
Rot. Bonds

About (2-iodo-1-benzofuran-5-yl)chloranium

(2-iodo-1-benzofuran-5-yl)chloranium (PubChem CID 147151830) has the molecular formula C8H5ClIO+ and a molecular weight of 279.48 g/mol. Its IUPAC name is (2-iodo-1-benzofuran-5-yl)chloranium.

Molecular Properties

Compound Name(2-iodo-1-benzofuran-5-yl)chloranium
PubChem CID147151830
Molecular FormulaC8H5ClIO+
Molecular Weight279.48 g/mol
Exact Mass278.91
IUPAC Name(2-iodo-1-benzofuran-5-yl)chloranium
SMILES[ClH+]c1ccc2oc(I)cc2c1
InChIInChI=1S/C8H5ClIO/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4,9H/q+1
InChIKeyBUDGOLZVQHDLCA-UHFFFAOYSA-N
XLogP2.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-iodo-1-benzofuran
CID 147151831
2-iodo-5-propyl-1-benzofuran
CID 86051258
(5-iodo-1-benzofuran-2-yl)methanamine
CID 86775734
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
CID 70167024
1-benzofuran-2,5-dicarbaldehyde
CID 18349269
3-iodo-6-phenylchromen-2-one
CID 71734439
5-fluoro-1-benzofuran-2-carbaldehyde
CID 10844747
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
CID 156725408
CID 156725408
4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline
CID 67167248
2-propyl-1-benzofuran-5-amine
CID 22132951
4-(5-iodo-1-benzofuran-2-yl)-N,N-dimethylaniline
CID 78075781

Frequently Asked Questions

What is the IUPAC name of (2-iodo-1-benzofuran-5-yl)chloranium?
The IUPAC name of (2-iodo-1-benzofuran-5-yl)chloranium (CID 147151830) is (2-iodo-1-benzofuran-5-yl)chloranium.
What is the SMILES notation for (2-iodo-1-benzofuran-5-yl)chloranium?
The canonical SMILES for (2-iodo-1-benzofuran-5-yl)chloranium is [ClH+]c1ccc2oc(I)cc2c1.
What is the InChIKey of (2-iodo-1-benzofuran-5-yl)chloranium?
The InChIKey is BUDGOLZVQHDLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClIO/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4,9H/q+1.
What are the key properties of (2-iodo-1-benzofuran-5-yl)chloranium?
(2-iodo-1-benzofuran-5-yl)chloranium has a molecular weight of 279.48 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-1-benzofuran-5-yl)chloranium is sourced from PubChem (CID 147151830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).