methyl 3-bromo-4-chloro-2-hydroxybenzoate

C8H6BrClO3 — CID 171027268

IUPACmethyl 3-bromo-4-chloro-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(Cl)c(Br)c1O
InChIInChI=1S/C8H6BrClO3/c1-13-8(12)4-2-3-5(10)6(9)7(4)11/h2-3,11H,1H3
InChIKeyNNQQWVUZGUCQQN-UHFFFAOYSA-N
MW265.49 g/mol
LogP2.59
Rot. Bonds1

About methyl 3-bromo-4-chloro-2-hydroxybenzoate

methyl 3-bromo-4-chloro-2-hydroxybenzoate (PubChem CID 171027268) has the molecular formula C8H6BrClO3 and a molecular weight of 265.49 g/mol. Its IUPAC name is methyl 3-bromo-4-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-bromo-4-chloro-2-hydroxybenzoate
PubChem CID171027268
Molecular FormulaC8H6BrClO3
Molecular Weight265.49 g/mol
Exact Mass263.92
IUPAC Namemethyl 3-bromo-4-chloro-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(Cl)c(Br)c1O
InChIInChI=1S/C8H6BrClO3/c1-13-8(12)4-2-3-5(10)6(9)7(4)11/h2-3,11H,1H3
InChIKeyNNQQWVUZGUCQQN-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-bromo-4-chloro-2-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

3-bromo-4-chloro-2-hydroxybenzoic acid
CID 131396911
methyl 3-bromo-4-formamido-2-hydroxybenzoate
CID 168653334
methyl 3-bromo-4-chloro-2-cyanobenzoate
CID 130621239
methyl 4-chloro-3-hydroxy-2-methylbenzoate
CID 22559906
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
CID 26369957
methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
methyl 4-chloro-2,3-diiodobenzoate
CID 131027106
methyl 2-bromo-3-chloro-4-fluorobenzoate
CID 131090831
2-bromo-3-chloro-6-methoxyphenol
CID 84700321
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 3-(bromomethyl)-2,4-dichlorobenzoate
CID 15477480

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-4-chloro-2-hydroxybenzoate?
The IUPAC name of methyl 3-bromo-4-chloro-2-hydroxybenzoate (CID 171027268) is methyl 3-bromo-4-chloro-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-bromo-4-chloro-2-hydroxybenzoate?
The canonical SMILES for methyl 3-bromo-4-chloro-2-hydroxybenzoate is COC(=O)c1ccc(Cl)c(Br)c1O.
What is the InChIKey of methyl 3-bromo-4-chloro-2-hydroxybenzoate?
The InChIKey is NNQQWVUZGUCQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO3/c1-13-8(12)4-2-3-5(10)6(9)7(4)11/h2-3,11H,1H3.
What are the key properties of methyl 3-bromo-4-chloro-2-hydroxybenzoate?
methyl 3-bromo-4-chloro-2-hydroxybenzoate has a molecular weight of 265.49 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-4-chloro-2-hydroxybenzoate is sourced from PubChem (CID 171027268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).