ethyl 2,6-dibromo-3-methylbenzoate

C10H10Br2O2 — CID 131699651

IUPACethyl 2,6-dibromo-3-methylbenzoate
SMILESCCOC(=O)c1c(Br)ccc(C)c1Br
InChIInChI=1S/C10H10Br2O2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3H2,1-2H3
InChIKeyBMMOOLIGQKJCCT-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.70
Rot. Bonds2

About ethyl 2,6-dibromo-3-methylbenzoate

ethyl 2,6-dibromo-3-methylbenzoate (PubChem CID 131699651) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is ethyl 2,6-dibromo-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 2,6-dibromo-3-methylbenzoate
PubChem CID131699651
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Nameethyl 2,6-dibromo-3-methylbenzoate
SMILESCCOC(=O)c1c(Br)ccc(C)c1Br
InChIInChI=1S/C10H10Br2O2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3H2,1-2H3
InChIKeyBMMOOLIGQKJCCT-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2,6-dibromo-3-methylbenzoate 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 6-amino-2-bromo-3-methylbenzoate
CID 131699648
ethyl 6-bromo-2-chloro-3-fluorobenzoate
CID 129321242
ethyl 2,3,6-trimethylbenzoate
CID 13126297
ethyl 6-bromo-3-fluoro-2-methoxybenzoate
CID 171010405
ethyl 6-bromo-2-fluoro-3-(trifluoromethyl)benzoate
CID 137345888
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 5-bromo-1,3-benzodioxole-4-carboxylate
CID 131589797
ethyl 6-bromo-3-cyano-2-ethylbenzoate
CID 134650290
ethyl 6-bromo-3-cyano-2-(hydroxymethyl)benzoate
CID 134650607
ethyl 2-bromo-6-hydrazinylbenzoate
CID 131011841
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
diethyl 3,4-dimethylbenzene-1,2-dicarboxylate
CID 66647906

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dibromo-3-methylbenzoate?
The IUPAC name of ethyl 2,6-dibromo-3-methylbenzoate (CID 131699651) is ethyl 2,6-dibromo-3-methylbenzoate.
What is the SMILES notation for ethyl 2,6-dibromo-3-methylbenzoate?
The canonical SMILES for ethyl 2,6-dibromo-3-methylbenzoate is CCOC(=O)c1c(Br)ccc(C)c1Br.
What is the InChIKey of ethyl 2,6-dibromo-3-methylbenzoate?
The InChIKey is BMMOOLIGQKJCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2,6-dibromo-3-methylbenzoate?
ethyl 2,6-dibromo-3-methylbenzoate has a molecular weight of 322.00 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dibromo-3-methylbenzoate is sourced from PubChem (CID 131699651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).