2-aminobenzonitrile;hydroiodide

C7H7IN2 — CID 68879264

IUPAC2-aminobenzonitrile;hydroiodide
SMILESI.N#Cc1ccccc1N
InChIInChI=1S/C7H6N2.HI/c8-5-6-3-1-2-4-7(6)9;/h1-4H,9H2;1H
InChIKeyJSDRZJRYHLHVLA-UHFFFAOYSA-N
MW246.05 g/mol
LogP1.76
Rot. Bonds

About 2-aminobenzonitrile;hydroiodide

2-aminobenzonitrile;hydroiodide (PubChem CID 68879264) has the molecular formula C7H7IN2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 2-aminobenzonitrile;hydroiodide.

Molecular Properties

Compound Name2-aminobenzonitrile;hydroiodide
PubChem CID68879264
Molecular FormulaC7H7IN2
Molecular Weight246.05 g/mol
Exact Mass245.97
IUPAC Name2-aminobenzonitrile;hydroiodide
SMILESI.N#Cc1ccccc1N
InChIInChI=1S/C7H6N2.HI/c8-5-6-3-1-2-4-7(6)9;/h1-4H,9H2;1H
InChIKeyJSDRZJRYHLHVLA-UHFFFAOYSA-N
XLogP1.76
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzonitrile;hydroiodide?
The IUPAC name of 2-aminobenzonitrile;hydroiodide (CID 68879264) is 2-aminobenzonitrile;hydroiodide.
What is the SMILES notation for 2-aminobenzonitrile;hydroiodide?
The canonical SMILES for 2-aminobenzonitrile;hydroiodide is I.N#Cc1ccccc1N.
What is the InChIKey of 2-aminobenzonitrile;hydroiodide?
The InChIKey is JSDRZJRYHLHVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.HI/c8-5-6-3-1-2-4-7(6)9;/h1-4H,9H2;1H.
What are the key properties of 2-aminobenzonitrile;hydroiodide?
2-aminobenzonitrile;hydroiodide has a molecular weight of 246.05 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzonitrile;hydroiodide is sourced from PubChem (CID 68879264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).