2-bromo-4-fluoro-5-hydroxybenzoic acid

C7H4BrFO3 — CID 66545185

IUPAC2-bromo-4-fluoro-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(F)cc1Br
InChIInChI=1S/C7H4BrFO3/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2,10H,(H,11,12)
InChIKeyNRRQMEMDKNSMOV-UHFFFAOYSA-N
MW235.01 g/mol
LogP1.99
Rot. Bonds1

About 2-bromo-4-fluoro-5-hydroxybenzoic acid

2-bromo-4-fluoro-5-hydroxybenzoic acid (PubChem CID 66545185) has the molecular formula C7H4BrFO3 and a molecular weight of 235.01 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-hydroxybenzoic acid
PubChem CID66545185
Molecular FormulaC7H4BrFO3
Molecular Weight235.01 g/mol
Exact Mass233.93
IUPAC Name2-bromo-4-fluoro-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)c(F)cc1Br
InChIInChI=1S/C7H4BrFO3/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2,10H,(H,11,12)
InChIKeyNRRQMEMDKNSMOV-UHFFFAOYSA-N
XLogP1.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.01
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 66545209
ethyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 131016117
2-bromo-4,5-difluorobenzoic acid;2-bromo-4-fluorobenzoic acid
CID 175275604
2-bromo-5-chloro-4-hydroxybenzoic acid
CID 131397859
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
3-bromo-2,4,5-trifluorobenzoic acid
CID 2783246
4-bromo-5-fluoro-2-hydroxybenzoic acid;iodoethane
CID 175531918
5-amino-4-bromo-2-fluorophenol
CID 74892030
2-bromo-4,5-bis(trifluoromethyl)benzoic acid
CID 118801484
2-bromo-4-ethoxy-5-fluorobenzoic acid
CID 126980084
4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide
CID 154676898
1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone
CID 131118712

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-hydroxybenzoic acid?
The IUPAC name of 2-bromo-4-fluoro-5-hydroxybenzoic acid (CID 66545185) is 2-bromo-4-fluoro-5-hydroxybenzoic acid.
What is the SMILES notation for 2-bromo-4-fluoro-5-hydroxybenzoic acid?
The canonical SMILES for 2-bromo-4-fluoro-5-hydroxybenzoic acid is O=C(O)c1cc(O)c(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-5-hydroxybenzoic acid?
The InChIKey is NRRQMEMDKNSMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO3/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2,10H,(H,11,12).
What are the key properties of 2-bromo-4-fluoro-5-hydroxybenzoic acid?
2-bromo-4-fluoro-5-hydroxybenzoic acid has a molecular weight of 235.01 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-5-hydroxybenzoic acid is sourced from PubChem (CID 66545185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).