cinnoline;hydroiodide

C8H7IN2 — CID 174664707

IUPACcinnoline;hydroiodide
SMILESI.c1ccc2nnccc2c1
InChIInChI=1S/C8H6N2.HI/c1-2-4-8-7(3-1)5-6-9-10-8;/h1-6H;1H
InChIKeyRTHFKILLVARCRF-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.25
Rot. Bonds

About cinnoline;hydroiodide

cinnoline;hydroiodide (PubChem CID 174664707) has the molecular formula C8H7IN2 and a molecular weight of 258.06 g/mol. Its IUPAC name is cinnoline;hydroiodide.

Molecular Properties

Compound Namecinnoline;hydroiodide
PubChem CID174664707
Molecular FormulaC8H7IN2
Molecular Weight258.06 g/mol
Exact Mass257.97
IUPAC Namecinnoline;hydroiodide
SMILESI.c1ccc2nnccc2c1
InChIInChI=1S/C8H6N2.HI/c1-2-4-8-7(3-1)5-6-9-10-8;/h1-6H;1H
InChIKeyRTHFKILLVARCRF-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cinnoline;hydroiodide 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 cinnoline;hydroiodide?
The IUPAC name of cinnoline;hydroiodide (CID 174664707) is cinnoline;hydroiodide.
What is the SMILES notation for cinnoline;hydroiodide?
The canonical SMILES for cinnoline;hydroiodide is I.c1ccc2nnccc2c1.
What is the InChIKey of cinnoline;hydroiodide?
The InChIKey is RTHFKILLVARCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.HI/c1-2-4-8-7(3-1)5-6-9-10-8;/h1-6H;1H.
What are the key properties of cinnoline;hydroiodide?
cinnoline;hydroiodide has a molecular weight of 258.06 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;hydroiodide is sourced from PubChem (CID 174664707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).