5-chloro-2-iodo-1-benzofuran

C8H4ClIO — CID 147151831

IUPAC5-chloro-2-iodo-1-benzofuran
SMILESClc1ccc2oc(I)cc2c1
InChIInChI=1S/C8H4ClIO/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H
InChIKeySOKJJLBSXQPOER-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.69
Rot. Bonds

About 5-chloro-2-iodo-1-benzofuran

5-chloro-2-iodo-1-benzofuran (PubChem CID 147151831) has the molecular formula C8H4ClIO and a molecular weight of 278.48 g/mol. Its IUPAC name is 5-chloro-2-iodo-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-iodo-1-benzofuran
PubChem CID147151831
Molecular FormulaC8H4ClIO
Molecular Weight278.48 g/mol
Exact Mass277.90
IUPAC Name5-chloro-2-iodo-1-benzofuran
SMILESClc1ccc2oc(I)cc2c1
InChIInChI=1S/C8H4ClIO/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H
InChIKeySOKJJLBSXQPOER-UHFFFAOYSA-N
XLogP3.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.69
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

(2-iodo-1-benzofuran-5-yl)chloranium
CID 147151830
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
6-chloro-3-hydroxychromen-2-one
CID 15339907
6-chlorochromen-2-one
CID 16321
5-chloro-1-benzofuran-2-sulfonic acid
CID 174798202
2-iodo-5-propyl-1-benzofuran
CID 86051258
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734218
5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran
CID 114733936
2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran
CID 114732842
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-1-benzofuran?
The IUPAC name of 5-chloro-2-iodo-1-benzofuran (CID 147151831) is 5-chloro-2-iodo-1-benzofuran.
What is the SMILES notation for 5-chloro-2-iodo-1-benzofuran?
The canonical SMILES for 5-chloro-2-iodo-1-benzofuran is Clc1ccc2oc(I)cc2c1.
What is the InChIKey of 5-chloro-2-iodo-1-benzofuran?
The InChIKey is SOKJJLBSXQPOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIO/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H.
What are the key properties of 5-chloro-2-iodo-1-benzofuran?
5-chloro-2-iodo-1-benzofuran has a molecular weight of 278.48 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-1-benzofuran is sourced from PubChem (CID 147151831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).