2-amino-3-(4-iodophenyl)naphthalene-1,4-dione

C16H10INO2 — CID 1405554

IUPAC2-amino-3-(4-iodophenyl)naphthalene-1,4-dione
SMILESNC1=C(c2ccc(I)cc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10INO2/c17-10-7-5-9(6-8-10)13-14(18)16(20)12-4-2-1-3-11(12)15(13)19/h1-8H,18H2
InChIKeyOOGKFOBSDVJHFJ-UHFFFAOYSA-N
MW375.17 g/mol
LogP3.04
Rot. Bonds1

About 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione

2-amino-3-(4-iodophenyl)naphthalene-1,4-dione (PubChem CID 1405554) has the molecular formula C16H10INO2 and a molecular weight of 375.17 g/mol. Its IUPAC name is 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-amino-3-(4-iodophenyl)naphthalene-1,4-dione
PubChem CID1405554
Molecular FormulaC16H10INO2
Molecular Weight375.17 g/mol
Exact Mass374.98
IUPAC Name2-amino-3-(4-iodophenyl)naphthalene-1,4-dione
SMILESNC1=C(c2ccc(I)cc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H10INO2/c17-10-7-5-9(6-8-10)13-14(18)16(20)12-4-2-1-3-11(12)15(13)19/h1-8H,18H2
InChIKeyOOGKFOBSDVJHFJ-UHFFFAOYSA-N
XLogP3.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione?
The IUPAC name of 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione (CID 1405554) is 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione.
What is the SMILES notation for 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione?
The canonical SMILES for 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione is NC1=C(c2ccc(I)cc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione?
The InChIKey is OOGKFOBSDVJHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10INO2/c17-10-7-5-9(6-8-10)13-14(18)16(20)12-4-2-1-3-11(12)15(13)19/h1-8H,18H2.
What are the key properties of 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione?
2-amino-3-(4-iodophenyl)naphthalene-1,4-dione has a molecular weight of 375.17 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-iodophenyl)naphthalene-1,4-dione is sourced from PubChem (CID 1405554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).