5-bromofuran-2-carboxylate

C5H2BrO3- — CID 4069229

IUPAC5-bromofuran-2-carboxylate
SMILESO=C([O-])c1ccc(Br)o1
InChIInChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)/p-1
InChIKeyYVTQHZDUDUCGRD-UHFFFAOYSA-M
MW189.97 g/mol
LogP0.41
Rot. Bonds1

About 5-bromofuran-2-carboxylate

5-bromofuran-2-carboxylate (PubChem CID 4069229) has the molecular formula C5H2BrO3- and a molecular weight of 189.97 g/mol. Its IUPAC name is 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name5-bromofuran-2-carboxylate
PubChem CID4069229
Molecular FormulaC5H2BrO3-
Molecular Weight189.97 g/mol
Exact Mass188.92
IUPAC Name5-bromofuran-2-carboxylate
SMILESO=C([O-])c1ccc(Br)o1
InChIInChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)/p-1
InChIKeyYVTQHZDUDUCGRD-UHFFFAOYSA-M
XLogP0.41
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.97
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromofuran-2-carboxamide;hydrochloride
CID 175240071
disodium bis(5-chlorofuran-2-carboxylate)
CID 159781926
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone
CID 67324487
2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride
CID 67834737
potassium 5-methylfuran-2-carboxylate
CID 90487955
5-formylfuran-2-carboxylate
CID 7020643
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
N,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531
tert-butyl 5-bromofuran-2-carboxylate
CID 18788676
(E)-3-(5-bromofuran-2-yl)-3-chloroprop-2-enoic acid
CID 104654238

Frequently Asked Questions

What is the IUPAC name of 5-bromofuran-2-carboxylate?
The IUPAC name of 5-bromofuran-2-carboxylate (CID 4069229) is 5-bromofuran-2-carboxylate.
What is the SMILES notation for 5-bromofuran-2-carboxylate?
The canonical SMILES for 5-bromofuran-2-carboxylate is O=C([O-])c1ccc(Br)o1.
What is the InChIKey of 5-bromofuran-2-carboxylate?
The InChIKey is YVTQHZDUDUCGRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)/p-1.
What are the key properties of 5-bromofuran-2-carboxylate?
5-bromofuran-2-carboxylate has a molecular weight of 189.97 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromofuran-2-carboxylate is sourced from PubChem (CID 4069229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).