5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine

C19H15BrN2O2 — CID 10022824

IUPAC5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(Br)cc1-c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C19H15BrN2O2/c1-2-24-18-4-3-14(20)8-15(18)13-7-16-17(12-5-6-23-11-12)10-22-19(16)21-9-13/h3-11H,2H2,1H3,(H,21,22)
InChIKeyVEGZEXZIWUIGMP-UHFFFAOYSA-N
MW383.25 g/mol
LogP5.65
Rot. Bonds4

About 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine

5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10022824) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID10022824
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(Br)cc1-c1cnc2[nH]cc(-c3ccoc3)c2c1
InChIInChI=1S/C19H15BrN2O2/c1-2-24-18-4-3-14(20)8-15(18)13-7-16-17(12-5-6-23-11-12)10-22-19(16)21-9-13/h3-11H,2H2,1H3,(H,21,22)
InChIKeyVEGZEXZIWUIGMP-UHFFFAOYSA-N
XLogP5.65
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.25
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 10022824) is 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine is CCOc1ccc(Br)cc1-c1cnc2[nH]cc(-c3ccoc3)c2c1.
What is the InChIKey of 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VEGZEXZIWUIGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c1-2-24-18-4-3-14(20)8-15(18)13-7-16-17(12-5-6-23-11-12)10-22-19(16)21-9-13/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 383.25 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10022824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).