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

C11H11BrN2 — CID 131010031

IUPAC5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]cc(C3CCC3)c2c1
InChIInChI=1S/C11H11BrN2/c12-8-4-9-10(7-2-1-3-7)6-14-11(9)13-5-8/h4-7H,1-3H2,(H,13,14)
InChIKeyUWKJUSPPDKCQEU-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.59
Rot. Bonds1

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

5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 131010031) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID131010031
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1cnc2[nH]cc(C3CCC3)c2c1
InChIInChI=1S/C11H11BrN2/c12-8-4-9-10(7-2-1-3-7)6-14-11(9)13-5-8/h4-7H,1-3H2,(H,13,14)
InChIKeyUWKJUSPPDKCQEU-UHFFFAOYSA-N
XLogP3.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine (CID 131010031) is 5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine is Brc1cnc2[nH]cc(C3CCC3)c2c1.
What is the InChIKey of 5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UWKJUSPPDKCQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-8-4-9-10(7-2-1-3-7)6-14-11(9)13-5-8/h4-7H,1-3H2,(H,13,14).
What are the key properties of 5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 251.13 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclobutyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 131010031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).