ethyl 6-bromo-3-fluoro-2-methoxybenzoate

C10H10BrFO3 — CID 171010405

IUPACethyl 6-bromo-3-fluoro-2-methoxybenzoate
SMILESCCOC(=O)c1c(Br)ccc(F)c1OC
InChIInChI=1S/C10H10BrFO3/c1-3-15-10(13)8-6(11)4-5-7(12)9(8)14-2/h4-5H,3H2,1-2H3
InChIKeyNKNKHQGROBPKAY-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.77
Rot. Bonds3

About ethyl 6-bromo-3-fluoro-2-methoxybenzoate

ethyl 6-bromo-3-fluoro-2-methoxybenzoate (PubChem CID 171010405) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is ethyl 6-bromo-3-fluoro-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 6-bromo-3-fluoro-2-methoxybenzoate
PubChem CID171010405
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Nameethyl 6-bromo-3-fluoro-2-methoxybenzoate
SMILESCCOC(=O)c1c(Br)ccc(F)c1OC
InChIInChI=1S/C10H10BrFO3/c1-3-15-10(13)8-6(11)4-5-7(12)9(8)14-2/h4-5H,3H2,1-2H3
InChIKeyNKNKHQGROBPKAY-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6-bromo-3-fluoro-2-methoxybenzoate 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-bromo-2-chloro-3-fluorobenzoate
CID 129321242
ethyl 3-bromo-6-(dibromomethyl)-2-methoxybenzoate
CID 67107936
ethyl 5-bromo-2,3-dihydroxy-6-methoxybenzoate
CID 25016408
ethyl 2,6-dibromo-3-methylbenzoate
CID 131699651
ethyl 2-bromo-6-fluoro-3-hydroxybenzoate
CID 130800843
ethyl 6-bromo-2-fluoro-3-(trifluoromethyl)benzoate
CID 137345888
ethane;ethyl 4-bromo-3-methoxy-2-methylbenzoate
CID 144722957
ethyl 4-bromo-1,3-dimethoxynaphthalene-2-carboxylate
CID 97034479
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 3-bromo-5-fluoropyridine-4-carboxylate
CID 46311470
ethyl 3-bromo-6-(chloromethyl)-2-fluorobenzoate
CID 166074309

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-3-fluoro-2-methoxybenzoate?
The IUPAC name of ethyl 6-bromo-3-fluoro-2-methoxybenzoate (CID 171010405) is ethyl 6-bromo-3-fluoro-2-methoxybenzoate.
What is the SMILES notation for ethyl 6-bromo-3-fluoro-2-methoxybenzoate?
The canonical SMILES for ethyl 6-bromo-3-fluoro-2-methoxybenzoate is CCOC(=O)c1c(Br)ccc(F)c1OC.
What is the InChIKey of ethyl 6-bromo-3-fluoro-2-methoxybenzoate?
The InChIKey is NKNKHQGROBPKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-3-15-10(13)8-6(11)4-5-7(12)9(8)14-2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-bromo-3-fluoro-2-methoxybenzoate?
ethyl 6-bromo-3-fluoro-2-methoxybenzoate has a molecular weight of 277.09 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-3-fluoro-2-methoxybenzoate is sourced from PubChem (CID 171010405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).