CID 144528655

C6H4I2N- — CID 144528655

IUPAC—
SMILESC1=CC2=C(I=C1)[I-]N=C2
InChIInChI=1S/C6H4I2N/c1-2-5-4-9-8-6(5)7-3-1/h1-4H/q-1
InChIKeyHYCQRHOTMJHHBQ-UHFFFAOYSA-N
MW343.91 g/mol
LogP-1.37
Rot. Bonds

About CID 144528655

CID 144528655 (PubChem CID 144528655) has the molecular formula C6H4I2N- and a molecular weight of 343.91 g/mol.

Molecular Properties

Compound NameCID 144528655
PubChem CID144528655
Molecular FormulaC6H4I2N-
Molecular Weight343.91 g/mol
Exact Mass343.84
IUPAC Name—
SMILESC1=CC2=C(I=C1)[I-]N=C2
InChIInChI=1S/C6H4I2N/c1-2-5-4-9-8-6(5)7-3-1/h1-4H/q-1
InChIKeyHYCQRHOTMJHHBQ-UHFFFAOYSA-N
XLogP-1.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.91
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 144528655 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 CID 144528655?
The IUPAC name of CID 144528655 (CID 144528655) is not available.
What is the SMILES notation for CID 144528655?
The canonical SMILES for CID 144528655 is C1=CC2=C(I=C1)[I-]N=C2.
What is the InChIKey of CID 144528655?
The InChIKey is HYCQRHOTMJHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I2N/c1-2-5-4-9-8-6(5)7-3-1/h1-4H/q-1.
What are the key properties of CID 144528655?
CID 144528655 has a molecular weight of 343.91 g/mol, XLogP of -1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144528655 is sourced from PubChem (CID 144528655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).