2-(5-chloro-2-iodophenyl)furan

C10H6ClIO — CID 168524442

IUPAC2-(5-chloro-2-iodophenyl)furan
SMILESClc1ccc(I)c(-c2ccco2)c1
InChIInChI=1S/C10H6ClIO/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h1-6H
InChIKeyYKRVJWRRHRAYJC-UHFFFAOYSA-N
MW304.51 g/mol
LogP4.20
Rot. Bonds1

About 2-(5-chloro-2-iodophenyl)furan

2-(5-chloro-2-iodophenyl)furan (PubChem CID 168524442) has the molecular formula C10H6ClIO and a molecular weight of 304.51 g/mol. Its IUPAC name is 2-(5-chloro-2-iodophenyl)furan.

Molecular Properties

Compound Name2-(5-chloro-2-iodophenyl)furan
PubChem CID168524442
Molecular FormulaC10H6ClIO
Molecular Weight304.51 g/mol
Exact Mass303.92
IUPAC Name2-(5-chloro-2-iodophenyl)furan
SMILESClc1ccc(I)c(-c2ccco2)c1
InChIInChI=1S/C10H6ClIO/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h1-6H
InChIKeyYKRVJWRRHRAYJC-UHFFFAOYSA-N
XLogP4.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-iodophenyl)furan?
The IUPAC name of 2-(5-chloro-2-iodophenyl)furan (CID 168524442) is 2-(5-chloro-2-iodophenyl)furan.
What is the SMILES notation for 2-(5-chloro-2-iodophenyl)furan?
The canonical SMILES for 2-(5-chloro-2-iodophenyl)furan is Clc1ccc(I)c(-c2ccco2)c1.
What is the InChIKey of 2-(5-chloro-2-iodophenyl)furan?
The InChIKey is YKRVJWRRHRAYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClIO/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h1-6H.
What are the key properties of 2-(5-chloro-2-iodophenyl)furan?
2-(5-chloro-2-iodophenyl)furan has a molecular weight of 304.51 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-iodophenyl)furan is sourced from PubChem (CID 168524442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).