3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C9H11BrN2 — CID 156652473

IUPAC3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=CC=C2C(Br)=C(C)NC2N1
InChIInChI=1S/C9H11BrN2/c1-5-3-4-7-8(10)6(2)12-9(7)11-5/h3-4,9,11-12H,1-2H3
InChIKeyFBHOCFYJBFVGIA-UHFFFAOYSA-N
MW227.10 g/mol
LogP1.98
Rot. Bonds

About 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 156652473) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID156652473
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=CC=C2C(Br)=C(C)NC2N1
InChIInChI=1S/C9H11BrN2/c1-5-3-4-7-8(10)6(2)12-9(7)11-5/h3-4,9,11-12H,1-2H3
InChIKeyFBHOCFYJBFVGIA-UHFFFAOYSA-N
XLogP1.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 156652473) is 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is CC1=CC=C2C(Br)=C(C)NC2N1.
What is the InChIKey of 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FBHOCFYJBFVGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-5-3-4-7-8(10)6(2)12-9(7)11-5/h3-4,9,11-12H,1-2H3.
What are the key properties of 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 227.10 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 156652473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).