5-chloro-2-iodophenol

C6H4ClIO — CID 6613333

IUPAC5-chloro-2-iodophenol
SMILESOc1cc(Cl)ccc1I
InChIInChI=1S/C6H4ClIO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKeyJIGSWDKRFQWANT-UHFFFAOYSA-N
MW254.45 g/mol
LogP2.65
Rot. Bonds

About 5-chloro-2-iodophenol

5-chloro-2-iodophenol (PubChem CID 6613333) has the molecular formula C6H4ClIO and a molecular weight of 254.45 g/mol. Its IUPAC name is 5-chloro-2-iodophenol.

Molecular Properties

Compound Name5-chloro-2-iodophenol
PubChem CID6613333
Molecular FormulaC6H4ClIO
Molecular Weight254.45 g/mol
Exact Mass253.90
IUPAC Name5-chloro-2-iodophenol
SMILESOc1cc(Cl)ccc1I
InChIInChI=1S/C6H4ClIO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKeyJIGSWDKRFQWANT-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 5-chloro-2-iodophenol?
The IUPAC name of 5-chloro-2-iodophenol (CID 6613333) is 5-chloro-2-iodophenol.
What is the SMILES notation for 5-chloro-2-iodophenol?
The canonical SMILES for 5-chloro-2-iodophenol is Oc1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodophenol?
The InChIKey is JIGSWDKRFQWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H.
What are the key properties of 5-chloro-2-iodophenol?
5-chloro-2-iodophenol has a molecular weight of 254.45 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodophenol is sourced from PubChem (CID 6613333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).