methyl 4-bromo-2-chloro-5-ethylbenzoate

C10H10BrClO2 — CID 130064473

IUPACmethyl 4-bromo-2-chloro-5-ethylbenzoate
SMILESCCc1cc(C(=O)OC)c(Cl)cc1Br
InChIInChI=1S/C10H10BrClO2/c1-3-6-4-7(10(13)14-2)9(12)5-8(6)11/h4-5H,3H2,1-2H3
InChIKeyHCEITFSFVWEUSM-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.45
Rot. Bonds2

About methyl 4-bromo-2-chloro-5-ethylbenzoate

methyl 4-bromo-2-chloro-5-ethylbenzoate (PubChem CID 130064473) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is methyl 4-bromo-2-chloro-5-ethylbenzoate.

Molecular Properties

Compound Namemethyl 4-bromo-2-chloro-5-ethylbenzoate
PubChem CID130064473
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Namemethyl 4-bromo-2-chloro-5-ethylbenzoate
SMILESCCc1cc(C(=O)OC)c(Cl)cc1Br
InChIInChI=1S/C10H10BrClO2/c1-3-6-4-7(10(13)14-2)9(12)5-8(6)11/h4-5H,3H2,1-2H3
InChIKeyHCEITFSFVWEUSM-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
ethyl 4-bromo-5-(bromomethyl)-2-chlorobenzoate
CID 171004080
methyl 5-bromo-2-chloro-4-isocyanobenzoate
CID 153494588
methyl 2-bromo-4-chloro-5-iodobenzoate
CID 50998206
methyl 5-(bromomethyl)-2-chloro-4-nitrobenzoate
CID 171014313
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
4-bromo-5-ethylphthalic acid
CID 91027917
methyl 4-chloro-6-(2,6-diethylphenyl)pyridine-3-carboxylate
CID 59678159
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 5-(aminomethyl)-2-chloro-4-cyanobenzoate
CID 131595721
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
methyl 4-amino-2-chloro-5-(3-methoxypropyl)benzoate
CID 90219737

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-2-chloro-5-ethylbenzoate?
The IUPAC name of methyl 4-bromo-2-chloro-5-ethylbenzoate (CID 130064473) is methyl 4-bromo-2-chloro-5-ethylbenzoate.
What is the SMILES notation for methyl 4-bromo-2-chloro-5-ethylbenzoate?
The canonical SMILES for methyl 4-bromo-2-chloro-5-ethylbenzoate is CCc1cc(C(=O)OC)c(Cl)cc1Br.
What is the InChIKey of methyl 4-bromo-2-chloro-5-ethylbenzoate?
The InChIKey is HCEITFSFVWEUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-3-6-4-7(10(13)14-2)9(12)5-8(6)11/h4-5H,3H2,1-2H3.
What are the key properties of methyl 4-bromo-2-chloro-5-ethylbenzoate?
methyl 4-bromo-2-chloro-5-ethylbenzoate has a molecular weight of 277.55 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-2-chloro-5-ethylbenzoate is sourced from PubChem (CID 130064473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).