3-iodonaphthalene-2-carboxylic acid

C11H7IO2 — CID 11460714

IUPAC3-iodonaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1I
InChIInChI=1S/C11H7IO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
InChIKeyDZBGUIUMPUTEMS-UHFFFAOYSA-N
MW298.08 g/mol
LogP3.14
Rot. Bonds1

About 3-iodonaphthalene-2-carboxylic acid

3-iodonaphthalene-2-carboxylic acid (PubChem CID 11460714) has the molecular formula C11H7IO2 and a molecular weight of 298.08 g/mol. Its IUPAC name is 3-iodonaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-iodonaphthalene-2-carboxylic acid
PubChem CID11460714
Molecular FormulaC11H7IO2
Molecular Weight298.08 g/mol
Exact Mass297.95
IUPAC Name3-iodonaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1I
InChIInChI=1S/C11H7IO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)
InChIKeyDZBGUIUMPUTEMS-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 53.14
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

3-iodonaphthalene-2-carboxamide
CID 133060342
3-carboniodidoylnaphthalene-2-carboxylic acid
CID 154947844
3-iodo-N-methylnaphthalene-2-carboxamide
CID 133056320
2,4,5-triiodobenzoic acid
CID 4693340
ethane;methyl 3-iodonaphthalene-2-carboxylate
CID 91057809
CID 69256301
CID 69256301
anthracene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160688323
3-chloronaphthalene-2-carboxylic acid;hydrochloride
CID 69376423
calcium;bis(3-carboxynaphthalen-2-olate);trihydrate
CID 54746328
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140
naphthalene;phthalic acid
CID 158069637
CID 70080980
CID 70080980

Frequently Asked Questions

What is the IUPAC name of 3-iodonaphthalene-2-carboxylic acid?
The IUPAC name of 3-iodonaphthalene-2-carboxylic acid (CID 11460714) is 3-iodonaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-iodonaphthalene-2-carboxylic acid?
The canonical SMILES for 3-iodonaphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1I.
What is the InChIKey of 3-iodonaphthalene-2-carboxylic acid?
The InChIKey is DZBGUIUMPUTEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14).
What are the key properties of 3-iodonaphthalene-2-carboxylic acid?
3-iodonaphthalene-2-carboxylic acid has a molecular weight of 298.08 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodonaphthalene-2-carboxylic acid is sourced from PubChem (CID 11460714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).