1-aminonaphthalene-2-carbonyl iodide

C11H8INO — CID 89199077

IUPAC1-aminonaphthalene-2-carbonyl iodide
SMILESNc1c(C(=O)I)ccc2ccccc12
InChIInChI=1S/C11H8INO/c12-11(14)9-6-5-7-3-1-2-4-8(7)10(9)13/h1-6H,13H2
InChIKeyLQCFCQBQGPMUCJ-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.00
Rot. Bonds1

About 1-aminonaphthalene-2-carbonyl iodide

1-aminonaphthalene-2-carbonyl iodide (PubChem CID 89199077) has the molecular formula C11H8INO and a molecular weight of 297.10 g/mol. Its IUPAC name is 1-aminonaphthalene-2-carbonyl iodide.

Molecular Properties

Compound Name1-aminonaphthalene-2-carbonyl iodide
PubChem CID89199077
Molecular FormulaC11H8INO
Molecular Weight297.10 g/mol
Exact Mass296.97
IUPAC Name1-aminonaphthalene-2-carbonyl iodide
SMILESNc1c(C(=O)I)ccc2ccccc12
InChIInChI=1S/C11H8INO/c12-11(14)9-6-5-7-3-1-2-4-8(7)10(9)13/h1-6H,13H2
InChIKeyLQCFCQBQGPMUCJ-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
naphthalene-1-carbonyl iodide
CID 87393513
(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
CID 67495002
(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 59534009
1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone
CID 70563290
2-(1-aminonaphthalen-2-yl)benzoic acid
CID 21398858
2-(naphthalene-1-carboximidoyl)naphthalen-1-amine
CID 144780579
1-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 101266046
10-aminoanthracene-1-carboxamide
CID 23131366
CID 129133768
CID 129133768
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
2-bromonaphthalen-1-amine
CID 10889478

Frequently Asked Questions

What is the IUPAC name of 1-aminonaphthalene-2-carbonyl iodide?
The IUPAC name of 1-aminonaphthalene-2-carbonyl iodide (CID 89199077) is 1-aminonaphthalene-2-carbonyl iodide.
What is the SMILES notation for 1-aminonaphthalene-2-carbonyl iodide?
The canonical SMILES for 1-aminonaphthalene-2-carbonyl iodide is Nc1c(C(=O)I)ccc2ccccc12.
What is the InChIKey of 1-aminonaphthalene-2-carbonyl iodide?
The InChIKey is LQCFCQBQGPMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8INO/c12-11(14)9-6-5-7-3-1-2-4-8(7)10(9)13/h1-6H,13H2.
What are the key properties of 1-aminonaphthalene-2-carbonyl iodide?
1-aminonaphthalene-2-carbonyl iodide has a molecular weight of 297.10 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminonaphthalene-2-carbonyl iodide is sourced from PubChem (CID 89199077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).