3-bromo-5-chloro-2-iodophenol

C6H3BrClIO — CID 131489085

IUPAC3-bromo-5-chloro-2-iodophenol
SMILESOc1cc(Cl)cc(Br)c1I
InChIInChI=1S/C6H3BrClIO/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H
InChIKeyWQGQYMMNSFPKTQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.41
Rot. Bonds

About 3-bromo-5-chloro-2-iodophenol

3-bromo-5-chloro-2-iodophenol (PubChem CID 131489085) has the molecular formula C6H3BrClIO and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-iodophenol.

Molecular Properties

Compound Name3-bromo-5-chloro-2-iodophenol
PubChem CID131489085
Molecular FormulaC6H3BrClIO
Molecular Weight333.35 g/mol
Exact Mass331.81
IUPAC Name3-bromo-5-chloro-2-iodophenol
SMILESOc1cc(Cl)cc(Br)c1I
InChIInChI=1S/C6H3BrClIO/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H
InChIKeyWQGQYMMNSFPKTQ-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-chlorophenol
CID 21394
2-amino-1-(2-bromo-4-chloro-6-hydroxyphenyl)ethanone
CID 84807436
1-bromo-2,5-dichloro-3-iodobenzene
CID 118797013
3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol
CID 84807228
2-bromo-6-chloro-4-iodophenol
CID 102508152
sodium;2-bromo-4-chlorophenol;hydride
CID 175199466
lithium;2-bromo-4-chlorophenol;hydride
CID 175213259
1-(4-chloro-2-hydroxy-6-iodophenyl)ethanone
CID 171008535
3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol
CID 84807446
4,5,6-triiodobenzene-1,3-diol
CID 102090528
1,5-dibromo-3-chloro-2-iodobenzene
CID 44557940
5-bromo-6-chloro-2-iodopyridin-3-ol
CID 19597652

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-iodophenol?
The IUPAC name of 3-bromo-5-chloro-2-iodophenol (CID 131489085) is 3-bromo-5-chloro-2-iodophenol.
What is the SMILES notation for 3-bromo-5-chloro-2-iodophenol?
The canonical SMILES for 3-bromo-5-chloro-2-iodophenol is Oc1cc(Cl)cc(Br)c1I.
What is the InChIKey of 3-bromo-5-chloro-2-iodophenol?
The InChIKey is WQGQYMMNSFPKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClIO/c7-4-1-3(8)2-5(10)6(4)9/h1-2,10H.
What are the key properties of 3-bromo-5-chloro-2-iodophenol?
3-bromo-5-chloro-2-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 3-bromo-5-chloro-2-iodophenol is sourced from PubChem (CID 131489085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).