2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid

C8H5BrClFO3 — CID 117455834

IUPAC2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)c(F)c1Br
InChIInChI=1S/C8H5BrClFO3/c9-5-3(7(12)8(13)14)1-2-4(10)6(5)11/h1-2,7,12H,(H,13,14)
InChIKeyUMWSYKFQFVJANR-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.36
Rot. Bonds2

About 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid

2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid (PubChem CID 117455834) has the molecular formula C8H5BrClFO3 and a molecular weight of 283.48 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
PubChem CID117455834
Molecular FormulaC8H5BrClFO3
Molecular Weight283.48 g/mol
Exact Mass281.91
IUPAC Name2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)c(F)c1Br
InChIInChI=1S/C8H5BrClFO3/c9-5-3(7(12)8(13)14)1-2-4(10)6(5)11/h1-2,7,12H,(H,13,14)
InChIKeyUMWSYKFQFVJANR-UHFFFAOYSA-N
XLogP2.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-(2-bromo-3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 171000572
3-bromo-1-chloro-4-(difluoromethyl)-2-fluorobenzene
CID 118542468
2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481
2-amino-3-(2-bromo-4-chloro-3-fluorophenyl)propanoic acid
CID 117477835
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-[2-(2-bromo-4-chloro-3-fluorophenyl)ethyl]propanedioic acid
CID 175171771
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
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-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid (CID 117455834) is 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(Cl)c(F)c1Br.
What is the InChIKey of 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid?
The InChIKey is UMWSYKFQFVJANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO3/c9-5-3(7(12)8(13)14)1-2-4(10)6(5)11/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid?
2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid has a molecular weight of 283.48 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117455834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).