2-bromo-4-chloro-6-iodophenol

C6H3BrClIO — CID 19935917

IUPAC2-bromo-4-chloro-6-iodophenol
SMILESOc1c(Br)cc(Cl)cc1I
InChIInChI=1S/C6H3BrClIO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H
InChIKeyIFTBLZHHHPYSNL-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.41
Rot. Bonds

About 2-bromo-4-chloro-6-iodophenol

2-bromo-4-chloro-6-iodophenol (PubChem CID 19935917) has the molecular formula C6H3BrClIO and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-iodophenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-iodophenol
PubChem CID19935917
Molecular FormulaC6H3BrClIO
Molecular Weight333.35 g/mol
Exact Mass331.81
IUPAC Name2-bromo-4-chloro-6-iodophenol
SMILESOc1c(Br)cc(Cl)cc1I
InChIInChI=1S/C6H3BrClIO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H
InChIKeyIFTBLZHHHPYSNL-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.41
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 2-bromo-4-chloro-6-iodophenol?
The IUPAC name of 2-bromo-4-chloro-6-iodophenol (CID 19935917) is 2-bromo-4-chloro-6-iodophenol.
What is the SMILES notation for 2-bromo-4-chloro-6-iodophenol?
The canonical SMILES for 2-bromo-4-chloro-6-iodophenol is Oc1c(Br)cc(Cl)cc1I.
What is the InChIKey of 2-bromo-4-chloro-6-iodophenol?
The InChIKey is IFTBLZHHHPYSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClIO/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H.
What are the key properties of 2-bromo-4-chloro-6-iodophenol?
2-bromo-4-chloro-6-iodophenol has a molecular weight of 333.35 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-iodophenol is sourced from PubChem (CID 19935917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).