6-chloro-N-pyrrolidin-3-ylpyridin-2-amine

C9H12ClN3 — CID 78996740

IUPAC6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
SMILESClc1cccc(NC2CCNC2)n1
InChIInChI=1S/C9H12ClN3/c10-8-2-1-3-9(13-8)12-7-4-5-11-6-7/h1-3,7,11H,4-6H2,(H,12,13)
InChIKeyKILIABHWSCFHFV-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.51
Rot. Bonds2

About 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine

6-chloro-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 78996740) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID78996740
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
SMILESClc1cccc(NC2CCNC2)n1
InChIInChI=1S/C9H12ClN3/c10-8-2-1-3-9(13-8)12-7-4-5-11-6-7/h1-3,7,11H,4-6H2,(H,12,13)
InChIKeyKILIABHWSCFHFV-UHFFFAOYSA-N
XLogP1.51
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-N-pyrrolidin-3-ylpyridin-2-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 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine (CID 78996740) is 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine is Clc1cccc(NC2CCNC2)n1.
What is the InChIKey of 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is KILIABHWSCFHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-2-1-3-9(13-8)12-7-4-5-11-6-7/h1-3,7,11H,4-6H2,(H,12,13).
What are the key properties of 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine?
6-chloro-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 197.67 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 78996740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).