2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid

C8H6BrFO4 — CID 84807500

IUPAC2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(O)c(F)c1O
InChIInChI=1S/C8H6BrFO4/c9-4-1-3(2-5(11)12)7(13)6(10)8(4)14/h1,13-14H,2H2,(H,11,12)
InChIKeyCIKLBOONBRWYHY-UHFFFAOYSA-N
MW265.03 g/mol
LogP1.63
Rot. Bonds2

About 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid

2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid (PubChem CID 84807500) has the molecular formula C8H6BrFO4 and a molecular weight of 265.03 g/mol. Its IUPAC name is 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid
PubChem CID84807500
Molecular FormulaC8H6BrFO4
Molecular Weight265.03 g/mol
Exact Mass263.94
IUPAC Name2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)c(O)c(F)c1O
InChIInChI=1S/C8H6BrFO4/c9-4-1-3(2-5(11)12)7(13)6(10)8(4)14/h1,13-14H,2H2,(H,11,12)
InChIKeyCIKLBOONBRWYHY-UHFFFAOYSA-N
XLogP1.63
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
CID 84798374
4-(5-bromo-2,3-difluoro-4-hydroxyphenyl)butanoic acid
CID 117475596
3-(5-bromo-2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117475605
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
CID 121227978
2-(5-bromo-2-hydroxy-3,4-dimethylphenyl)acetic acid
CID 83901744
2-(6-bromo-2-fluoro-3,4-dihydroxyphenyl)acetic acid
CID 117416359
2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117111600
2-amino-3-(5-bromo-2,3-difluoro-4-hydroxyphenyl)propanoic acid;hydrochloride
CID 136574243
2-(3,5-dibromo-2-fluorophenyl)acetic acid
CID 2773982
2-(2,4,5-tribromophenyl)acetic acid
CID 119010967
2-[3-bromo-5-(bromomethyl)-4-hydroxyphenyl]acetic acid
CID 166841013

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid?
The IUPAC name of 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid (CID 84807500) is 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid?
The canonical SMILES for 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid is O=C(O)Cc1cc(Br)c(O)c(F)c1O.
What is the InChIKey of 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid?
The InChIKey is CIKLBOONBRWYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO4/c9-4-1-3(2-5(11)12)7(13)6(10)8(4)14/h1,13-14H,2H2,(H,11,12).
What are the key properties of 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid?
2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid has a molecular weight of 265.03 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-fluoro-2,4-dihydroxyphenyl)acetic acid is sourced from PubChem (CID 84807500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).