methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate

C8H5Br2ClO3 — CID 26369957

IUPACmethyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
SMILESCOC(=O)c1cc(Br)c(Cl)c(Br)c1O
InChIInChI=1S/C8H5Br2ClO3/c1-14-8(13)3-2-4(9)6(11)5(10)7(3)12/h2,12H,1H3
InChIKeyGZRLWDKMFBMBDE-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.36
Rot. Bonds1

About methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate

methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate (PubChem CID 26369957) has the molecular formula C8H5Br2ClO3 and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
PubChem CID26369957
Molecular FormulaC8H5Br2ClO3
Molecular Weight344.39 g/mol
Exact Mass341.83
IUPAC Namemethyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
SMILESCOC(=O)c1cc(Br)c(Cl)c(Br)c1O
InChIInChI=1S/C8H5Br2ClO3/c1-14-8(13)3-2-4(9)6(11)5(10)7(3)12/h2,12H,1H3
InChIKeyGZRLWDKMFBMBDE-UHFFFAOYSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
methyl 3,4-diamino-5-bromo-2-hydroxybenzoate
CID 23046711
dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate
CID 15839798
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514
methyl 3-bromo-4-chloro-2-hydroxybenzoate
CID 171027268
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
2-amino-6-bromo-3-chloro-4-methoxycarbonylbenzoic acid
CID 115356891
methyl 3-bromo-2-chloro-5-formylbenzoate
CID 171024239
methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
CID 135377329
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
methyl 3-amino-4,5-dichloro-2-hydroxybenzoate
CID 23046751

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate?
The IUPAC name of methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate (CID 26369957) is methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate.
What is the SMILES notation for methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate?
The canonical SMILES for methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate is COC(=O)c1cc(Br)c(Cl)c(Br)c1O.
What is the InChIKey of methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate?
The InChIKey is GZRLWDKMFBMBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2ClO3/c1-14-8(13)3-2-4(9)6(11)5(10)7(3)12/h2,12H,1H3.
What are the key properties of methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate?
methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate has a molecular weight of 344.39 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate is sourced from PubChem (CID 26369957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).