(2-iodophenyl)azanium

C6H7IN+ — CID 23277841

IUPAC(2-iodophenyl)azanium
SMILES[NH3+]c1ccccc1I
InChIInChI=1S/C6H6IN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2/p+1
InChIKeyUBPDKIDWEADHPP-UHFFFAOYSA-O
MW220.03 g/mol
LogP1.16
Rot. Bonds

About (2-iodophenyl)azanium

(2-iodophenyl)azanium (PubChem CID 23277841) has the molecular formula C6H7IN+ and a molecular weight of 220.03 g/mol. Its IUPAC name is (2-iodophenyl)azanium.

Molecular Properties

Compound Name(2-iodophenyl)azanium
PubChem CID23277841
Molecular FormulaC6H7IN+
Molecular Weight220.03 g/mol
Exact Mass219.96
IUPAC Name(2-iodophenyl)azanium
SMILES[NH3+]c1ccccc1I
InChIInChI=1S/C6H6IN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2/p+1
InChIKeyUBPDKIDWEADHPP-UHFFFAOYSA-O
XLogP1.16
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)azanium?
The IUPAC name of (2-iodophenyl)azanium (CID 23277841) is (2-iodophenyl)azanium.
What is the SMILES notation for (2-iodophenyl)azanium?
The canonical SMILES for (2-iodophenyl)azanium is [NH3+]c1ccccc1I.
What is the InChIKey of (2-iodophenyl)azanium?
The InChIKey is UBPDKIDWEADHPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6IN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2/p+1.
What are the key properties of (2-iodophenyl)azanium?
(2-iodophenyl)azanium has a molecular weight of 220.03 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)azanium is sourced from PubChem (CID 23277841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).