2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine

C13H18BrN3 — CID 169304749

IUPAC2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESCC(C)Cn1cc(CCN)c2ccc(Br)nc21
InChIInChI=1S/C13H18BrN3/c1-9(2)7-17-8-10(5-6-15)11-3-4-12(14)16-13(11)17/h3-4,8-9H,5-7,15H2,1-2H3
InChIKeyOHFIJRHHFWMFBP-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.96
Rot. Bonds4

About 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine

2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 169304749) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID169304749
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESCC(C)Cn1cc(CCN)c2ccc(Br)nc21
InChIInChI=1S/C13H18BrN3/c1-9(2)7-17-8-10(5-6-15)11-3-4-12(14)16-13(11)17/h3-4,8-9H,5-7,15H2,1-2H3
InChIKeyOHFIJRHHFWMFBP-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 169304749) is 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine is CC(C)Cn1cc(CCN)c2ccc(Br)nc21.
What is the InChIKey of 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is OHFIJRHHFWMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-9(2)7-17-8-10(5-6-15)11-3-4-12(14)16-13(11)17/h3-4,8-9H,5-7,15H2,1-2H3.
What are the key properties of 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 296.21 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 169304749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).