5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine

C10H11BrN2 — CID 123822296

IUPAC5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1c(C)[nH]c2ncc(Br)cc12
InChIInChI=1S/C10H11BrN2/c1-3-8-6(2)13-10-9(8)4-7(11)5-12-10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyQMOQTKAXVAWIAV-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.20
Rot. Bonds1

About 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 123822296) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID123822296
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1c(C)[nH]c2ncc(Br)cc12
InChIInChI=1S/C10H11BrN2/c1-3-8-6(2)13-10-9(8)4-7(11)5-12-10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyQMOQTKAXVAWIAV-UHFFFAOYSA-N
XLogP3.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine (CID 123822296) is 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine is CCc1c(C)[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QMOQTKAXVAWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-3-8-6(2)13-10-9(8)4-7(11)5-12-10/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 239.12 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123822296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).