5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C11H15BrN2 — CID 121441013

IUPAC5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)C1=CC2=CC(Br)=CNC2N1
InChIInChI=1S/C11H15BrN2/c1-11(2,3)9-5-7-4-8(12)6-13-10(7)14-9/h4-6,10,13-14H,1-3H3
InChIKeyAYKHHOIHMPQMTH-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.61
Rot. Bonds

About 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 121441013) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID121441013
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)C1=CC2=CC(Br)=CNC2N1
InChIInChI=1S/C11H15BrN2/c1-11(2,3)9-5-7-4-8(12)6-13-10(7)14-9/h4-6,10,13-14H,1-3H3
InChIKeyAYKHHOIHMPQMTH-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 121441013) is 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)C1=CC2=CC(Br)=CNC2N1.
What is the InChIKey of 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AYKHHOIHMPQMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-11(2,3)9-5-7-4-8(12)6-13-10(7)14-9/h4-6,10,13-14H,1-3H3.
What are the key properties of 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 255.16 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 121441013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).