2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid

C8H5Br2FO3 — CID 171008427

IUPAC2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(Br)cc(Br)c1F
InChIInChI=1S/C8H5Br2FO3/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7,12H,(H,13,14)
InChIKeySTNAILQPMMCWTM-UHFFFAOYSA-N
MW327.93 g/mol
LogP2.47
Rot. Bonds2

About 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid

2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid (PubChem CID 171008427) has the molecular formula C8H5Br2FO3 and a molecular weight of 327.93 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
PubChem CID171008427
Molecular FormulaC8H5Br2FO3
Molecular Weight327.93 g/mol
Exact Mass325.86
IUPAC Name2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(Br)cc(Br)c1F
InChIInChI=1S/C8H5Br2FO3/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7,12H,(H,13,14)
InChIKeySTNAILQPMMCWTM-UHFFFAOYSA-N
XLogP2.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.93
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
2-(5-bromo-3-fluoro-2-iodophenyl)-2-hydroxyacetic acid
CID 171001339
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetic acid
CID 117470016
2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid
CID 119006562
2-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
2-[2-amino-5-bromo-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119005684
2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
CID 171000601
2-(5-bromo-2-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117455837
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
2-(3,5-dibromo-2-fluorophenyl)acetic acid
CID 2773982
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid (CID 171008427) is 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(Br)cc(Br)c1F.
What is the InChIKey of 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid?
The InChIKey is STNAILQPMMCWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2FO3/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid?
2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid has a molecular weight of 327.93 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171008427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).