3-iodosyl-5-methylnaphthalene-2-carboxylic acid

C12H9IO3 — CID 23357378

IUPAC3-iodosyl-5-methylnaphthalene-2-carboxylic acid
SMILESCc1cccc2cc(C(=O)O)c(I=O)cc12
InChIInChI=1S/C12H9IO3/c1-7-3-2-4-8-5-10(12(14)15)11(13-16)6-9(7)8/h2-6H,1H3,(H,14,15)
InChIKeyUEFCAPGNUMGLQM-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.33
Rot. Bonds2

About 3-iodosyl-5-methylnaphthalene-2-carboxylic acid

3-iodosyl-5-methylnaphthalene-2-carboxylic acid (PubChem CID 23357378) has the molecular formula C12H9IO3 and a molecular weight of 328.11 g/mol. Its IUPAC name is 3-iodosyl-5-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-iodosyl-5-methylnaphthalene-2-carboxylic acid
PubChem CID23357378
Molecular FormulaC12H9IO3
Molecular Weight328.11 g/mol
Exact Mass327.96
IUPAC Name3-iodosyl-5-methylnaphthalene-2-carboxylic acid
SMILESCc1cccc2cc(C(=O)O)c(I=O)cc12
InChIInChI=1S/C12H9IO3/c1-7-3-2-4-8-5-10(12(14)15)11(13-16)6-9(7)8/h2-6H,1H3,(H,14,15)
InChIKeyUEFCAPGNUMGLQM-UHFFFAOYSA-N
XLogP3.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid
CID 23357093
2-iodosyl-5-methylbenzoic acid
CID 3827925
3,4-dimethylnaphthalene-2-carboxylic acid
CID 163849681
3,4-dihydroxy-5-methylnaphthalene-2-carboxylic acid
CID 130295389
1,5-dimethylacridine-4-carboxylic acid
CID 10634490
carbonic acid;1-methylnaphthalene
CID 66808059
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 171127461
3-methyl-2-tetracen-5-ylbenzoic acid
CID 90199258
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078

Frequently Asked Questions

What is the IUPAC name of 3-iodosyl-5-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 3-iodosyl-5-methylnaphthalene-2-carboxylic acid (CID 23357378) is 3-iodosyl-5-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-iodosyl-5-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 3-iodosyl-5-methylnaphthalene-2-carboxylic acid is Cc1cccc2cc(C(=O)O)c(I=O)cc12.
What is the InChIKey of 3-iodosyl-5-methylnaphthalene-2-carboxylic acid?
The InChIKey is UEFCAPGNUMGLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO3/c1-7-3-2-4-8-5-10(12(14)15)11(13-16)6-9(7)8/h2-6H,1H3,(H,14,15).
What are the key properties of 3-iodosyl-5-methylnaphthalene-2-carboxylic acid?
3-iodosyl-5-methylnaphthalene-2-carboxylic acid has a molecular weight of 328.11 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodosyl-5-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 23357378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).