3,4-diiodonaphthalen-1-amine

C10H7I2N — CID 74892032

IUPAC3,4-diiodonaphthalen-1-amine
SMILESNc1cc(I)c(I)c2ccccc12
InChIInChI=1S/C10H7I2N/c11-8-5-9(13)6-3-1-2-4-7(6)10(8)12/h1-5H,13H2
InChIKeyYWMVIUWZACZTKV-UHFFFAOYSA-N
MW394.98 g/mol
LogP3.63
Rot. Bonds

About 3,4-diiodonaphthalen-1-amine

3,4-diiodonaphthalen-1-amine (PubChem CID 74892032) has the molecular formula C10H7I2N and a molecular weight of 394.98 g/mol. Its IUPAC name is 3,4-diiodonaphthalen-1-amine.

Molecular Properties

Compound Name3,4-diiodonaphthalen-1-amine
PubChem CID74892032
Molecular FormulaC10H7I2N
Molecular Weight394.98 g/mol
Exact Mass394.87
IUPAC Name3,4-diiodonaphthalen-1-amine
SMILESNc1cc(I)c(I)c2ccccc12
InChIInChI=1S/C10H7I2N/c11-8-5-9(13)6-3-1-2-4-7(6)10(8)12/h1-5H,13H2
InChIKeyYWMVIUWZACZTKV-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.98
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diiodonaphthalen-1-amine?
The IUPAC name of 3,4-diiodonaphthalen-1-amine (CID 74892032) is 3,4-diiodonaphthalen-1-amine.
What is the SMILES notation for 3,4-diiodonaphthalen-1-amine?
The canonical SMILES for 3,4-diiodonaphthalen-1-amine is Nc1cc(I)c(I)c2ccccc12.
What is the InChIKey of 3,4-diiodonaphthalen-1-amine?
The InChIKey is YWMVIUWZACZTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7I2N/c11-8-5-9(13)6-3-1-2-4-7(6)10(8)12/h1-5H,13H2.
What are the key properties of 3,4-diiodonaphthalen-1-amine?
3,4-diiodonaphthalen-1-amine has a molecular weight of 394.98 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diiodonaphthalen-1-amine is sourced from PubChem (CID 74892032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).