2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid

C8H5BrClFO3 — CID 171000601

IUPAC2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)c(Br)cc1Cl
InChIInChI=1S/C8H5BrClFO3/c9-4-2-5(10)3(1-6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyCUCXVSROWCVIMA-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.36
Rot. Bonds2

About 2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid

2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid (PubChem CID 171000601) has the molecular formula C8H5BrClFO3 and a molecular weight of 283.48 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
PubChem CID171000601
Molecular FormulaC8H5BrClFO3
Molecular Weight283.48 g/mol
Exact Mass281.91
IUPAC Name2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)c(Br)cc1Cl
InChIInChI=1S/C8H5BrClFO3/c9-4-2-5(10)3(1-6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyCUCXVSROWCVIMA-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_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117455837
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274
2-(2-bromo-3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 171000572
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
CID 171008427
(2R)-2-(2,4-dichloro-5-methylphenyl)-2-hydroxyacetic acid
CID 125129481
2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
CID 117455834
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
2-hydroxy-2-(2,4,5-tribromophenyl)acetic acid
CID 119006562
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
2-(3-chloro-5-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314960
(2R)-2-(2,4-dichloro-6-fluorophenyl)-2-hydroxyacetic acid
CID 125129364

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid (CID 171000601) is 2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(F)c(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid?
The InChIKey is CUCXVSROWCVIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO3/c9-4-2-5(10)3(1-6(4)11)7(12)8(13)14/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid?
2-(4-bromo-2-chloro-5-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-(4-bromo-2-chloro-5-fluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171000601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).