3-carboniodidoylnaphthalene-2-carboxylic acid

C12H7IO3 — CID 154947844

IUPAC3-carboniodidoylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1C(=O)I
InChIInChI=1S/C12H7IO3/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,15,16)
InChIKeyMKTQVRKCROTRKO-UHFFFAOYSA-N
MW326.09 g/mol
LogP3.11
Rot. Bonds2

About 3-carboniodidoylnaphthalene-2-carboxylic acid

3-carboniodidoylnaphthalene-2-carboxylic acid (PubChem CID 154947844) has the molecular formula C12H7IO3 and a molecular weight of 326.09 g/mol. Its IUPAC name is 3-carboniodidoylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-carboniodidoylnaphthalene-2-carboxylic acid
PubChem CID154947844
Molecular FormulaC12H7IO3
Molecular Weight326.09 g/mol
Exact Mass325.94
IUPAC Name3-carboniodidoylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1C(=O)I
InChIInChI=1S/C12H7IO3/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,15,16)
InChIKeyMKTQVRKCROTRKO-UHFFFAOYSA-N
XLogP3.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.09
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodonaphthalene-2-carboxylic acid
CID 11460714
3-chloronaphthalene-2-carboxylic acid;hydrochloride
CID 69376423
CID 69256301
CID 69256301
3-prop-2-enoylnaphthalene-2-carboxylic acid
CID 152710041
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
anthracene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160688323
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
3-hydrazinylnaphthalene-2-carboxylic acid
CID 4738853
3-(bromomethyl)naphthalene-2-carboxylic acid
CID 118849455

Frequently Asked Questions

What is the IUPAC name of 3-carboniodidoylnaphthalene-2-carboxylic acid?
The IUPAC name of 3-carboniodidoylnaphthalene-2-carboxylic acid (CID 154947844) is 3-carboniodidoylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-carboniodidoylnaphthalene-2-carboxylic acid?
The canonical SMILES for 3-carboniodidoylnaphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1C(=O)I.
What is the InChIKey of 3-carboniodidoylnaphthalene-2-carboxylic acid?
The InChIKey is MKTQVRKCROTRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IO3/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,15,16).
What are the key properties of 3-carboniodidoylnaphthalene-2-carboxylic acid?
3-carboniodidoylnaphthalene-2-carboxylic acid has a molecular weight of 326.09 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboniodidoylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 154947844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).