2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid

C9H8BrFO3 — CID 83403424

IUPAC2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(Br)cc(C(O)C(=O)O)c1F
InChIInChI=1S/C9H8BrFO3/c1-4-2-5(10)3-6(7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyQGCUAPDMPSXJEE-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.01
Rot. Bonds2

About 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid

2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid (PubChem CID 83403424) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
PubChem CID83403424
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
SMILESCc1cc(Br)cc(C(O)C(=O)O)c1F
InChIInChI=1S/C9H8BrFO3/c1-4-2-5(10)3-6(7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14)
InChIKeyQGCUAPDMPSXJEE-UHFFFAOYSA-N
XLogP2.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
CID 171008427
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043
2-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117447192
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-(5-bromo-3-fluoro-2-iodophenyl)-2-hydroxyacetic acid
CID 171001339
4-amino-4-(5-bromo-2-fluoro-3-methylphenyl)butanoic acid
CID 117468252
5-bromo-1-(1-bromoethyl)-2-fluoro-3-methylbenzene
CID 130140651
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
ethyl 3-amino-3-(5-bromo-2-fluoro-3-methylphenyl)propanoate;hydrochloride
CID 175588063
2-(3-chloro-5-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 117311528
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 130731681
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid (CID 83403424) is 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid is Cc1cc(Br)cc(C(O)C(=O)O)c1F.
What is the InChIKey of 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid?
The InChIKey is QGCUAPDMPSXJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c1-4-2-5(10)3-6(7(4)11)8(12)9(13)14/h2-3,8,12H,1H3,(H,13,14).
What are the key properties of 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid?
2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid has a molecular weight of 263.06 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 83403424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).