CID 174688719

C6H4ISn — CID 174688719

IUPAC—
SMILES[Sn]c1ccccc1I
InChIInChI=1S/C6H4I.Sn/c7-6-4-2-1-3-5-6;/h1-4H;
InChIKeyUXIHDWFDPPTJGP-UHFFFAOYSA-N
MW321.71 g/mol
LogP1.09
Rot. Bonds

About CID 174688719

CID 174688719 (PubChem CID 174688719) has the molecular formula C6H4ISn and a molecular weight of 321.71 g/mol.

Molecular Properties

Compound NameCID 174688719
PubChem CID174688719
Molecular FormulaC6H4ISn
Molecular Weight321.71 g/mol
Exact Mass322.84
IUPAC Name—
SMILES[Sn]c1ccccc1I
InChIInChI=1S/C6H4I.Sn/c7-6-4-2-1-3-5-6;/h1-4H;
InChIKeyUXIHDWFDPPTJGP-UHFFFAOYSA-N
XLogP1.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
fluoro-tris(2-iodophenyl)silane
CID 132502818
2-iodophenol
CID 10784
(2-iodophenyl)azanium
CID 23277841
1,2,3-triiodobenzene
CID 139071365
2-(2,6-diiodophenyl)-1,3-diiodobenzene
CID 91384938
copper(1+);1-ethynyl-2-iodobenzene
CID 78062932
1-iodo-2-[(E)-2-(2-iodophenyl)ethenyl]benzene
CID 10812610
1-iodo-2-[(2-iodophenyl)methyl]benzene
CID 597023
azane;1-bromo-2-iodobenzene
CID 139491171
1-iodo-2-[2-(2-iodophenyl)ethynyl]benzene
CID 11316350
2-(difluoromethoxy)-1,3-diiodobenzene
CID 135741218

Frequently Asked Questions

What is the IUPAC name of CID 174688719?
The IUPAC name of CID 174688719 (CID 174688719) is not available.
What is the SMILES notation for CID 174688719?
The canonical SMILES for CID 174688719 is [Sn]c1ccccc1I.
What is the InChIKey of CID 174688719?
The InChIKey is UXIHDWFDPPTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I.Sn/c7-6-4-2-1-3-5-6;/h1-4H;.
What are the key properties of CID 174688719?
CID 174688719 has a molecular weight of 321.71 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174688719 is sourced from PubChem (CID 174688719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).