3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine

C10H12BrN3 — CID 117223845

IUPAC3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
SMILESNCCCn1ccc2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3/c11-9-6-8-2-5-14(4-1-3-12)10(8)13-7-9/h2,5-7H,1,3-4,12H2
InChIKeyPUBQRVLDMWUGIY-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.15
Rot. Bonds3

About 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine

3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine (PubChem CID 117223845) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
PubChem CID117223845
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
SMILESNCCCn1ccc2cc(Br)cnc21
InChIInChI=1S/C10H12BrN3/c11-9-6-8-2-5-14(4-1-3-12)10(8)13-7-9/h2,5-7H,1,3-4,12H2
InChIKeyPUBQRVLDMWUGIY-UHFFFAOYSA-N
XLogP2.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
The IUPAC name of 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine (CID 117223845) is 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine is NCCCn1ccc2cc(Br)cnc21.
What is the InChIKey of 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
The InChIKey is PUBQRVLDMWUGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c11-9-6-8-2-5-14(4-1-3-12)10(8)13-7-9/h2,5-7H,1,3-4,12H2.
What are the key properties of 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine has a molecular weight of 254.13 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrrolo[2,3-b]pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 117223845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).