2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid

C9H8BrIO3 — CID 171000893

IUPAC2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Br)cc(C(O)C(=O)O)cc1I
InChIInChI=1S/C9H8BrIO3/c1-4-6(10)2-5(3-7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyYKFIGBSGYDWCFC-UHFFFAOYSA-N
MW370.97 g/mol
LogP2.48
Rot. Bonds2

About 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid

2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid (PubChem CID 171000893) has the molecular formula C9H8BrIO3 and a molecular weight of 370.97 g/mol. Its IUPAC name is 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid
PubChem CID171000893
Molecular FormulaC9H8BrIO3
Molecular Weight370.97 g/mol
Exact Mass369.87
IUPAC Name2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid
SMILESCc1c(Br)cc(C(O)C(=O)O)cc1I
InChIInChI=1S/C9H8BrIO3/c1-4-6(10)2-5(3-7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyYKFIGBSGYDWCFC-UHFFFAOYSA-N
XLogP2.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.97
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-5-chloro-4-methylphenyl)-2-hydroxyacetic acid
CID 171002378
2-(2,6-dimethyl-4-pyridinyl)-2-hydroxyacetic acid
CID 82408630
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958
2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid
CID 131214006
(2R)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 66728449
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid
CID 117470016
2-(3-bromo-5-chloro-2-methylphenyl)-2-hydroxyacetic acid
CID 171002346
2-hydroxy-2-[3-iodo-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134638431
2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655958
2-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid
CID 23345991
2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid
CID 171001373
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid (CID 171000893) is 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid is Cc1c(Br)cc(C(O)C(=O)O)cc1I.
What is the InChIKey of 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is YKFIGBSGYDWCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrIO3/c1-4-6(10)2-5(3-7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid?
2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 370.97 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-iodo-4-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171000893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).