5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid

C7H3BrClFO3 — CID 83903185

IUPAC5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)c(Br)cc(F)c1Cl
InChIInChI=1S/C7H3BrClFO3/c8-2-1-3(10)5(9)4(6(2)11)7(12)13/h1,11H,(H,12,13)
InChIKeyGRBGMPQOGVSWKB-UHFFFAOYSA-N
MW269.45 g/mol
LogP2.65
Rot. Bonds1

About 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid

5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid (PubChem CID 83903185) has the molecular formula C7H3BrClFO3 and a molecular weight of 269.45 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid.

Molecular Properties

Compound Name5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid
PubChem CID83903185
Molecular FormulaC7H3BrClFO3
Molecular Weight269.45 g/mol
Exact Mass267.89
IUPAC Name5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)c(Br)cc(F)c1Cl
InChIInChI=1S/C7H3BrClFO3/c8-2-1-3(10)5(9)4(6(2)11)7(12)13/h1,11H,(H,12,13)
InChIKeyGRBGMPQOGVSWKB-UHFFFAOYSA-N
XLogP2.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
CID 54312938
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
3-bromo-2,6-dichloro-5-fluorobenzamide
CID 141400879
4-bromo-2,3,6-trifluorobenzoic acid
CID 59889044
5-bromo-2-chloro-6-fluoro-3-methylbenzoic acid
CID 118456895
3-bromo-2-chloro-6-fluoro-5-methylbenzoic acid
CID 164895101
2,6-dibromo-3,4-difluorophenol
CID 84814133
2,6-dibromo-3,5-difluorobenzoic acid
CID 119014383
4-bromo-2,6-dichlorobenzene-1,3-dicarboxylic acid
CID 141400007
3-bromo-4-chloro-5-fluorobenzene-1,2-diol
CID 84702773
2-(3-bromo-2,5-difluoro-6-hydroxyphenyl)-2-oxoacetic acid
CID 117450954
4-bromo-2-fluoronaphthalene-1-carboxylic acid
CID 170334354

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid?
The IUPAC name of 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid (CID 83903185) is 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid.
What is the SMILES notation for 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid?
The canonical SMILES for 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid is O=C(O)c1c(O)c(Br)cc(F)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid?
The InChIKey is GRBGMPQOGVSWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFO3/c8-2-1-3(10)5(9)4(6(2)11)7(12)13/h1,11H,(H,12,13).
What are the key properties of 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid?
5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid has a molecular weight of 269.45 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid is sourced from PubChem (CID 83903185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).