3-iodo-1-iodylnaphthalene-2-carboxylic acid

C11H6I2O4 — CID 23357987

IUPAC3-iodo-1-iodylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(I)cc2ccccc2c1I(=O)=O
InChIInChI=1S/C11H6I2O4/c12-8-5-6-3-1-2-4-7(6)10(13(16)17)9(8)11(14)15/h1-5H,(H,14,15)
InChIKeyZTFWONLVIKZLGS-UHFFFAOYSA-N
MW455.97 g/mol
LogP3.51
Rot. Bonds2

About 3-iodo-1-iodylnaphthalene-2-carboxylic acid

3-iodo-1-iodylnaphthalene-2-carboxylic acid (PubChem CID 23357987) has the molecular formula C11H6I2O4 and a molecular weight of 455.97 g/mol. Its IUPAC name is 3-iodo-1-iodylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-iodo-1-iodylnaphthalene-2-carboxylic acid
PubChem CID23357987
Molecular FormulaC11H6I2O4
Molecular Weight455.97 g/mol
Exact Mass455.84
IUPAC Name3-iodo-1-iodylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1c(I)cc2ccccc2c1I(=O)=O
InChIInChI=1S/C11H6I2O4/c12-8-5-6-3-1-2-4-7(6)10(13(16)17)9(8)11(14)15/h1-5H,(H,14,15)
InChIKeyZTFWONLVIKZLGS-UHFFFAOYSA-N
XLogP3.51
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-iodyl-3-octadecoxynaphthalene-2-carboxylic acid
CID 23357103
2-iodyl-3-(trifluoromethoxy)naphthalene-1-carboxylic acid
CID 23357096
1-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 57137470
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
CID 171920783
3-iodonaphthalene-2-carboxylic acid
CID 11460714
anthracene-1,9-dicarboxylic acid
CID 13155838
anthracene-9-carboxylic acid;trichloro(ethyl)silane
CID 87654089
anthracene-9-carboxylic acid;dibromo(butyl)silane
CID 173129114
3-hydroxy-1-phenoxynaphthalene-2-carboxylic acid
CID 101339177
2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid
CID 90954227

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-iodylnaphthalene-2-carboxylic acid?
The IUPAC name of 3-iodo-1-iodylnaphthalene-2-carboxylic acid (CID 23357987) is 3-iodo-1-iodylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-iodo-1-iodylnaphthalene-2-carboxylic acid?
The canonical SMILES for 3-iodo-1-iodylnaphthalene-2-carboxylic acid is O=C(O)c1c(I)cc2ccccc2c1I(=O)=O.
What is the InChIKey of 3-iodo-1-iodylnaphthalene-2-carboxylic acid?
The InChIKey is ZTFWONLVIKZLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6I2O4/c12-8-5-6-3-1-2-4-7(6)10(13(16)17)9(8)11(14)15/h1-5H,(H,14,15).
What are the key properties of 3-iodo-1-iodylnaphthalene-2-carboxylic acid?
3-iodo-1-iodylnaphthalene-2-carboxylic acid has a molecular weight of 455.97 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-iodylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 23357987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).