2-pyridin-3-yl-3H-isoindol-1-imine

C13H11N3 — CID 5074510

IUPAC2-pyridin-3-yl-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cccnc1
InChIInChI=1S/C13H11N3/c14-13-12-6-2-1-4-10(12)9-16(13)11-5-3-7-15-8-11/h1-8,14H,9H2/b14-13+
InChIKeyGTQFUGDLNDHDCT-BUHFOSPRSA-N
MW209.25 g/mol
LogP2.43
Rot. Bonds1

About 2-pyridin-3-yl-3H-isoindol-1-imine

2-pyridin-3-yl-3H-isoindol-1-imine (PubChem CID 5074510) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-pyridin-3-yl-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-pyridin-3-yl-3H-isoindol-1-imine
PubChem CID5074510
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-pyridin-3-yl-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cccnc1
InChIInChI=1S/C13H11N3/c14-13-12-6-2-1-4-10(12)9-16(13)11-5-3-7-15-8-11/h1-8,14H,9H2/b14-13+
InChIKeyGTQFUGDLNDHDCT-BUHFOSPRSA-N
XLogP2.43
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-pyridin-3-yl-3H-isoindol-1-imine 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 2-pyridin-3-yl-3H-isoindol-1-imine?
The IUPAC name of 2-pyridin-3-yl-3H-isoindol-1-imine (CID 5074510) is 2-pyridin-3-yl-3H-isoindol-1-imine.
What is the SMILES notation for 2-pyridin-3-yl-3H-isoindol-1-imine?
The canonical SMILES for 2-pyridin-3-yl-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-3H-isoindol-1-imine?
The InChIKey is GTQFUGDLNDHDCT-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H11N3/c14-13-12-6-2-1-4-10(12)9-16(13)11-5-3-7-15-8-11/h1-8,14H,9H2/b14-13+.
What are the key properties of 2-pyridin-3-yl-3H-isoindol-1-imine?
2-pyridin-3-yl-3H-isoindol-1-imine has a molecular weight of 209.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3H-isoindol-1-imine is sourced from PubChem (CID 5074510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).