4-iodobenzoic acid;nickel

C7H5INiO2 — CID 54603201

IUPAC4-iodobenzoic acid;nickel
SMILESO=C(O)c1ccc(I)cc1.[Ni]
InChIInChI=1S/C7H5IO2.Ni/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);
InChIKeyIYHJDAWHROWYQS-UHFFFAOYSA-N
MW306.71 g/mol
LogP1.99
Rot. Bonds1

About 4-iodobenzoic acid;nickel

4-iodobenzoic acid;nickel (PubChem CID 54603201) has the molecular formula C7H5INiO2 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-iodobenzoic acid;nickel.

Molecular Properties

Compound Name4-iodobenzoic acid;nickel
PubChem CID54603201
Molecular FormulaC7H5INiO2
Molecular Weight306.71 g/mol
Exact Mass305.87
IUPAC Name4-iodobenzoic acid;nickel
SMILESO=C(O)c1ccc(I)cc1.[Ni]
InChIInChI=1S/C7H5IO2.Ni/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);
InChIKeyIYHJDAWHROWYQS-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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terephthalic acid
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chromium;terephthalic acid
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terephthalic acid;dihydrofluoride
CID 70485309
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
ethene;terephthalic acid
CID 18755810
oxophosphane;terephthalic acid
CID 175391404
potassium;terephthalic acid;hydroxide
CID 157415014
silver;terephthalic acid;zinc
CID 88512761
zinc;oxygen(2-);terephthalic acid
CID 68542267

Frequently Asked Questions

What is the IUPAC name of 4-iodobenzoic acid;nickel?
The IUPAC name of 4-iodobenzoic acid;nickel (CID 54603201) is 4-iodobenzoic acid;nickel.
What is the SMILES notation for 4-iodobenzoic acid;nickel?
The canonical SMILES for 4-iodobenzoic acid;nickel is O=C(O)c1ccc(I)cc1.[Ni].
What is the InChIKey of 4-iodobenzoic acid;nickel?
The InChIKey is IYHJDAWHROWYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IO2.Ni/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);.
What are the key properties of 4-iodobenzoic acid;nickel?
4-iodobenzoic acid;nickel has a molecular weight of 306.71 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobenzoic acid;nickel is sourced from PubChem (CID 54603201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).