naphthalene-1-carbonyl iodide

C11H7IO — CID 87393513

IUPACnaphthalene-1-carbonyl iodide
SMILESO=C(I)c1cccc2ccccc12
InChIInChI=1S/C11H7IO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyLFDXHVHUFHJSMP-UHFFFAOYSA-N
MW282.08 g/mol
LogP3.41
Rot. Bonds1

About naphthalene-1-carbonyl iodide

naphthalene-1-carbonyl iodide (PubChem CID 87393513) has the molecular formula C11H7IO and a molecular weight of 282.08 g/mol. Its IUPAC name is naphthalene-1-carbonyl iodide.

Molecular Properties

Compound Namenaphthalene-1-carbonyl iodide
PubChem CID87393513
Molecular FormulaC11H7IO
Molecular Weight282.08 g/mol
Exact Mass281.95
IUPAC Namenaphthalene-1-carbonyl iodide
SMILESO=C(I)c1cccc2ccccc12
InChIInChI=1S/C11H7IO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyLFDXHVHUFHJSMP-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 129133768
CID 129133768
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
sodium naphthalene-1-carbothioate
CID 134872711
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
1-aminonaphthalene-2-carbonyl iodide
CID 89199077
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 146007709
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
bromo naphthalene-1-carboxylate
CID 68796403
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
lithium 2-bromo-1-naphthalen-1-ylethanone
CID 10015209

Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carbonyl iodide?
The IUPAC name of naphthalene-1-carbonyl iodide (CID 87393513) is naphthalene-1-carbonyl iodide.
What is the SMILES notation for naphthalene-1-carbonyl iodide?
The canonical SMILES for naphthalene-1-carbonyl iodide is O=C(I)c1cccc2ccccc12.
What is the InChIKey of naphthalene-1-carbonyl iodide?
The InChIKey is LFDXHVHUFHJSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of naphthalene-1-carbonyl iodide?
naphthalene-1-carbonyl iodide has a molecular weight of 282.08 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carbonyl iodide is sourced from PubChem (CID 87393513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).