2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine

C12H11IN2OS — CID 65476330

IUPAC2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1ccc(I)cc1
InChIInChI=1S/C12H11IN2OS/c13-10-5-3-9(4-6-10)8-17(16)12-11(14)2-1-7-15-12/h1-7H,8,14H2
InChIKeyPGWIFMFZDCOFHY-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.58
Rot. Bonds3

About 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine

2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine (PubChem CID 65476330) has the molecular formula C12H11IN2OS and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
PubChem CID65476330
Molecular FormulaC12H11IN2OS
Molecular Weight358.20 g/mol
Exact Mass357.96
IUPAC Name2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1ccc(I)cc1
InChIInChI=1S/C12H11IN2OS/c13-10-5-3-9(4-6-10)8-17(16)12-11(14)2-1-7-15-12/h1-7H,8,14H2
InChIKeyPGWIFMFZDCOFHY-UHFFFAOYSA-N
XLogP2.58
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-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 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine?
The IUPAC name of 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine (CID 65476330) is 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine?
The canonical SMILES for 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine is Nc1cccnc1S(=O)Cc1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine?
The InChIKey is PGWIFMFZDCOFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2OS/c13-10-5-3-9(4-6-10)8-17(16)12-11(14)2-1-7-15-12/h1-7H,8,14H2.
What are the key properties of 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine?
2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine has a molecular weight of 358.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 65476330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).