3-chloro-5-fluoro-4-hydroxybenzoic acid

C7H4ClFO3 — CID 67496538

IUPAC3-chloro-5-fluoro-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C7H4ClFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKeyISRQCNONLNOPTB-UHFFFAOYSA-N
MW190.56 g/mol
LogP1.88
Rot. Bonds1

About 3-chloro-5-fluoro-4-hydroxybenzoic acid

3-chloro-5-fluoro-4-hydroxybenzoic acid (PubChem CID 67496538) has the molecular formula C7H4ClFO3 and a molecular weight of 190.56 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-hydroxybenzoic acid
PubChem CID67496538
Molecular FormulaC7H4ClFO3
Molecular Weight190.56 g/mol
Exact Mass189.98
IUPAC Name3-chloro-5-fluoro-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C7H4ClFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKeyISRQCNONLNOPTB-UHFFFAOYSA-N
XLogP1.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-5-fluorobenzoic acid
CID 50997844
(3-chloro-5-fluoro-4-hydroxyphenyl)-(4-chlorophenyl)methanone
CID 138392315
3-chloro-5-fluoro-4-(hydroxymethyl)benzoic acid
CID 130219313
3-chloro-4-ethyl-5-fluorobenzoic acid
CID 90066927
4-chloro-3-fluorobenzoic acid
CID 2736536
ethyl 2-(3-chloro-5-fluoro-4-hydroxyphenyl)-2-oxoacetate
CID 117369049
sodium 3,4,5-trichlorobenzoic acid
CID 155920302
3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide
CID 126791243
3-chloro-4-ethoxy-5-fluorobenzoic acid
CID 46737656
3,4,5-trihydroxybenzoic acid
CID 370
3,5-difluoro-4-sulfanylbenzoic acid
CID 63185525
benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol
CID 158155753

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-hydroxybenzoic acid?
The IUPAC name of 3-chloro-5-fluoro-4-hydroxybenzoic acid (CID 67496538) is 3-chloro-5-fluoro-4-hydroxybenzoic acid.
What is the SMILES notation for 3-chloro-5-fluoro-4-hydroxybenzoic acid?
The canonical SMILES for 3-chloro-5-fluoro-4-hydroxybenzoic acid is O=C(O)c1cc(F)c(O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-4-hydroxybenzoic acid?
The InChIKey is ISRQCNONLNOPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12).
What are the key properties of 3-chloro-5-fluoro-4-hydroxybenzoic acid?
3-chloro-5-fluoro-4-hydroxybenzoic acid has a molecular weight of 190.56 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-hydroxybenzoic acid is sourced from PubChem (CID 67496538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).