2,3-difluoro-5-hydroxybenzoic acid

C7H4F2O3 — CID 26596765

IUPAC2,3-difluoro-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(F)c1F
InChIInChI=1S/C7H4F2O3/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2,10H,(H,11,12)
InChIKeyUHGVHUUHCKECKJ-UHFFFAOYSA-N
MW174.10 g/mol
LogP1.37
Rot. Bonds1

About 2,3-difluoro-5-hydroxybenzoic acid

2,3-difluoro-5-hydroxybenzoic acid (PubChem CID 26596765) has the molecular formula C7H4F2O3 and a molecular weight of 174.10 g/mol. Its IUPAC name is 2,3-difluoro-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2,3-difluoro-5-hydroxybenzoic acid
PubChem CID26596765
Molecular FormulaC7H4F2O3
Molecular Weight174.10 g/mol
Exact Mass174.01
IUPAC Name2,3-difluoro-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)cc(F)c1F
InChIInChI=1S/C7H4F2O3/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2,10H,(H,11,12)
InChIKeyUHGVHUUHCKECKJ-UHFFFAOYSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.10
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone
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3,4,5-trifluorophenol
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2,4,5-trifluoro-3-formamidobenzoic acid
CID 168651424
2,4,5-trifluoro-3-methylbenzoic acid
CID 11805514
3-bromo-2,4,5-trifluorobenzoic acid
CID 2783246
2,3-difluoro-5-(methylsulfamoyl)benzoic acid
CID 68839247
2,5-dihydroxy-3-(methylcarbamoyl)benzoic acid
CID 156852362
3-amino-4,5-difluoro-2-hydroxybenzoic acid
CID 83817838
3,4,5,7,8-pentafluoronaphthalene-2-carboxylic acid
CID 100982612
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid
CID 117307716

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-hydroxybenzoic acid?
The IUPAC name of 2,3-difluoro-5-hydroxybenzoic acid (CID 26596765) is 2,3-difluoro-5-hydroxybenzoic acid.
What is the SMILES notation for 2,3-difluoro-5-hydroxybenzoic acid?
The canonical SMILES for 2,3-difluoro-5-hydroxybenzoic acid is O=C(O)c1cc(O)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-5-hydroxybenzoic acid?
The InChIKey is UHGVHUUHCKECKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O3/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2,10H,(H,11,12).
What are the key properties of 2,3-difluoro-5-hydroxybenzoic acid?
2,3-difluoro-5-hydroxybenzoic acid has a molecular weight of 174.10 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-hydroxybenzoic acid is sourced from PubChem (CID 26596765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).