methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate

C10H6BrFO3 — CID 131521886

IUPACmethyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2c(Br)c(F)ccc2o1
InChIInChI=1S/C10H6BrFO3/c1-14-10(13)8-4-5-7(15-8)3-2-6(12)9(5)11/h2-4H,1H3
InChIKeyDYZYXNCAVRSFPN-UHFFFAOYSA-N
MW273.06 g/mol
LogP3.12
Rot. Bonds1

About methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate

methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate (PubChem CID 131521886) has the molecular formula C10H6BrFO3 and a molecular weight of 273.06 g/mol. Its IUPAC name is methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
PubChem CID131521886
Molecular FormulaC10H6BrFO3
Molecular Weight273.06 g/mol
Exact Mass271.95
IUPAC Namemethyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2c(Br)c(F)ccc2o1
InChIInChI=1S/C10H6BrFO3/c1-14-10(13)8-4-5-7(15-8)3-2-6(12)9(5)11/h2-4H,1H3
InChIKeyDYZYXNCAVRSFPN-UHFFFAOYSA-N
XLogP3.12
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-fluoro-1-benzofuran-2-carboxylic acid
CID 83679343
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate
CID 14916652
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
methyl 5-[amino-(3-bromo-4-fluorophenyl)methyl]furan-2-carboxylate
CID 107950825
methyl 6-fluoro-1-benzofuran-2-carboxylate
CID 118988296
1-(4,5-difluoro-1-benzofuran-2-yl)ethanone
CID 83410460
methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate
CID 165463721
methyl 2,6-dibromo-3-fluorobenzoate
CID 121228063
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
4-amino-5-fluoro-1-benzofuran-2-carboxylic acid
CID 82373023
methyl 4-chloro-6-methyl-1-benzofuran-2-carboxylate
CID 165469200

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate (CID 131521886) is methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate is COC(=O)c1cc2c(Br)c(F)ccc2o1.
What is the InChIKey of methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate?
The InChIKey is DYZYXNCAVRSFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFO3/c1-14-10(13)8-4-5-7(15-8)3-2-6(12)9(5)11/h2-4H,1H3.
What are the key properties of methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate?
methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate has a molecular weight of 273.06 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 131521886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).