ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate

C9H8BrNO3 — CID 59648581

IUPACethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occ(Br)c2[nH]1
InChIInChI=1S/C9H8BrNO3/c1-2-13-9(12)6-3-7-8(11-6)5(10)4-14-7/h3-4,11H,2H2,1H3
InChIKeyBRCYQLJSKNOAFL-UHFFFAOYSA-N
MW258.07 g/mol
LogP2.70
Rot. Bonds2

About ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate

ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 59648581) has the molecular formula C9H8BrNO3 and a molecular weight of 258.07 g/mol. Its IUPAC name is ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID59648581
Molecular FormulaC9H8BrNO3
Molecular Weight258.07 g/mol
Exact Mass256.97
IUPAC Nameethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occ(Br)c2[nH]1
InChIInChI=1S/C9H8BrNO3/c1-2-13-9(12)6-3-7-8(11-6)5(10)4-14-7/h3-4,11H,2H2,1H3
InChIKeyBRCYQLJSKNOAFL-UHFFFAOYSA-N
XLogP2.70
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylic acid;ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 161174395
lithium;ethyl 3-(trifluoromethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate;3-(trifluoromethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid;hydroxide;hydrate
CID 159835780
ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 59648476
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576
ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
CID 135017692
ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate
CID 10777524
ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 70848637
ethyl 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 134684512
ethyl 6-bromo-5-iodo-1H-indole-2-carboxylate
CID 135394278
3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 138007640
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate (CID 59648581) is ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occ(Br)c2[nH]1.
What is the InChIKey of ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is BRCYQLJSKNOAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO3/c1-2-13-9(12)6-3-7-8(11-6)5(10)4-14-7/h3-4,11H,2H2,1H3.
What are the key properties of ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate?
ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 258.07 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 59648581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).