3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine

C11H14ClN3 — CID 11843022

IUPAC3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
SMILESCc1cn(CCCN)c2nc(Cl)ccc12
InChIInChI=1S/C11H14ClN3/c1-8-7-15(6-2-5-13)11-9(8)3-4-10(12)14-11/h3-4,7H,2,5-6,13H2,1H3
InChIKeySTLVYGVHEVJNFJ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.35
Rot. Bonds3

About 3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine

3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine (PubChem CID 11843022) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
PubChem CID11843022
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine
SMILESCc1cn(CCCN)c2nc(Cl)ccc12
InChIInChI=1S/C11H14ClN3/c1-8-7-15(6-2-5-13)11-9(8)3-4-10(12)14-11/h3-4,7H,2,5-6,13H2,1H3
InChIKeySTLVYGVHEVJNFJ-UHFFFAOYSA-N
XLogP2.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-chloro-3-methylpyrrolo[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-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine (CID 11843022) is 3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine is Cc1cn(CCCN)c2nc(Cl)ccc12.
What is the InChIKey of 3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
The InChIKey is STLVYGVHEVJNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-8-7-15(6-2-5-13)11-9(8)3-4-10(12)14-11/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine?
3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine has a molecular weight of 223.71 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-methylpyrrolo[2,3-b]pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 11843022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).