2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid

C8H3ClF2O4 — CID 117345699

IUPAC2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C8H3ClF2O4/c9-3-1-2(6(12)8(14)15)4(10)5(11)7(3)13/h1,13H,(H,14,15)
InChIKeyKAQYKAAIJBZILG-UHFFFAOYSA-N
MW236.56 g/mol
LogP1.59
Rot. Bonds2

About 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid

2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid (PubChem CID 117345699) has the molecular formula C8H3ClF2O4 and a molecular weight of 236.56 g/mol. Its IUPAC name is 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid
PubChem CID117345699
Molecular FormulaC8H3ClF2O4
Molecular Weight236.56 g/mol
Exact Mass235.97
IUPAC Name2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C8H3ClF2O4/c9-3-1-2(6(12)8(14)15)4(10)5(11)7(3)13/h1,13H,(H,14,15)
InChIKeyKAQYKAAIJBZILG-UHFFFAOYSA-N
XLogP1.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.56
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2,3-difluoro-6-hydroxyphenyl)-2-oxoacetic acid
CID 117345701
2-oxo-2-(2,4,5-trichlorophenyl)acetic acid
CID 12902422
2-(2-fluoro-3,4-dihydroxy-5-methylphenyl)-2-oxoacetic acid
CID 117304895
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
2-(3,5-dichloro-4-fluorophenyl)-2-oxoacetic acid
CID 117345896
2-[5-chloro-4-hydroxy-2-(trifluoromethyl)phenyl]-2-oxoacetic acid
CID 117424966
2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117305831
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoacetic acid
CID 117369028
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
CID 70204169
2-(2,5-dichloro-3-fluorophenyl)-2-oxoacetic acid
CID 117345899
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid (CID 117345699) is 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid is O=C(O)C(=O)c1cc(Cl)c(O)c(F)c1F.
What is the InChIKey of 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid?
The InChIKey is KAQYKAAIJBZILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2O4/c9-3-1-2(6(12)8(14)15)4(10)5(11)7(3)13/h1,13H,(H,14,15).
What are the key properties of 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid?
2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid has a molecular weight of 236.56 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117345699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).