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

C15H10BrN3 — CID 59364252

IUPAC3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccc2[nH]cc(-c3c[nH]c4ncccc34)c2c1
InChIInChI=1S/C15H10BrN3/c16-9-3-4-14-11(6-9)13(7-18-14)12-8-19-15-10(12)2-1-5-17-15/h1-8,18H,(H,17,19)
InChIKeyGCGSPRNPLHOCSO-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.47
Rot. Bonds1

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

3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59364252) has the molecular formula C15H10BrN3 and a molecular weight of 312.17 g/mol. Its IUPAC name is 3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59364252
Molecular FormulaC15H10BrN3
Molecular Weight312.17 g/mol
Exact Mass311.01
IUPAC Name3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccc2[nH]cc(-c3c[nH]c4ncccc34)c2c1
InChIInChI=1S/C15H10BrN3/c16-9-3-4-14-11(6-9)13(7-18-14)12-8-19-15-10(12)2-1-5-17-15/h1-8,18H,(H,17,19)
InChIKeyGCGSPRNPLHOCSO-UHFFFAOYSA-N
XLogP4.47
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10307932
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CID 67486
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CID 165348
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CID 5328392
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CID 5328396
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CID 58221397
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CID 456386
CID 456386

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 59364252) is 3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine is Brc1ccc2[nH]cc(-c3c[nH]c4ncccc34)c2c1.
What is the InChIKey of 3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GCGSPRNPLHOCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3/c16-9-3-4-14-11(6-9)13(7-18-14)12-8-19-15-10(12)2-1-5-17-15/h1-8,18H,(H,17,19).
What are the key properties of 3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 312.17 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59364252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).