methyl 2-bromo-4-fluoro-5-hydroxybenzoate

C8H6BrFO3 — CID 66545209

IUPACmethyl 2-bromo-4-fluoro-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)c(F)cc1Br
InChIInChI=1S/C8H6BrFO3/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3,11H,1H3
InChIKeyHJSONSUAHMBJMA-UHFFFAOYSA-N
MW249.03 g/mol
LogP2.08
Rot. Bonds1

About methyl 2-bromo-4-fluoro-5-hydroxybenzoate

methyl 2-bromo-4-fluoro-5-hydroxybenzoate (PubChem CID 66545209) has the molecular formula C8H6BrFO3 and a molecular weight of 249.03 g/mol. Its IUPAC name is methyl 2-bromo-4-fluoro-5-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-bromo-4-fluoro-5-hydroxybenzoate
PubChem CID66545209
Molecular FormulaC8H6BrFO3
Molecular Weight249.03 g/mol
Exact Mass247.95
IUPAC Namemethyl 2-bromo-4-fluoro-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)c(F)cc1Br
InChIInChI=1S/C8H6BrFO3/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3,11H,1H3
InChIKeyHJSONSUAHMBJMA-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.03
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-bromo-4-fluoro-5-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 131016117
methyl 4-bromo-5-fluoro-2-hydroxybenzoate
CID 66887268
methyl 2-bromo-4-fluoro-5-(hydroxymethyl)benzoate
CID 118186621
2-bromo-4-fluoro-5-hydroxybenzoic acid
CID 66545185
methyl 2-bromo-4-formyl-5-hydroxybenzoate
CID 90036125
methyl 4-fluoro-5-hydroxy-2-(trifluoromethyl)benzoate
CID 131318354
ethane;methyl 2-bromo-4-hydroxy-5-methylbenzoate
CID 176920388
methyl 2-bromo-5-fluoro-4-(trifluoromethyl)benzoate
CID 131310738
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
methyl 4-bromo-5-fluoro-2-iodobenzoate
CID 130516007
methyl 4-bromo-2,3,5-trifluorobenzoate
CID 122620788

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-4-fluoro-5-hydroxybenzoate?
The IUPAC name of methyl 2-bromo-4-fluoro-5-hydroxybenzoate (CID 66545209) is methyl 2-bromo-4-fluoro-5-hydroxybenzoate.
What is the SMILES notation for methyl 2-bromo-4-fluoro-5-hydroxybenzoate?
The canonical SMILES for methyl 2-bromo-4-fluoro-5-hydroxybenzoate is COC(=O)c1cc(O)c(F)cc1Br.
What is the InChIKey of methyl 2-bromo-4-fluoro-5-hydroxybenzoate?
The InChIKey is HJSONSUAHMBJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO3/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3,11H,1H3.
What are the key properties of methyl 2-bromo-4-fluoro-5-hydroxybenzoate?
methyl 2-bromo-4-fluoro-5-hydroxybenzoate has a molecular weight of 249.03 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-4-fluoro-5-hydroxybenzoate is sourced from PubChem (CID 66545209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).