2-amino-1,3-dichloroanthracene-9,10-dione

C14H7Cl2NO2 — CID 626024

IUPAC2-amino-1,3-dichloroanthracene-9,10-dione
SMILESNc1c(Cl)cc2c(c1Cl)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H7Cl2NO2/c15-9-5-8-10(11(16)12(9)17)14(19)7-4-2-1-3-6(7)13(8)18/h1-5H,17H2
InChIKeyMDJJHOYSTOBSCY-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.35
Rot. Bonds

About 2-amino-1,3-dichloroanthracene-9,10-dione

2-amino-1,3-dichloroanthracene-9,10-dione (PubChem CID 626024) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-amino-1,3-dichloroanthracene-9,10-dione.

Molecular Properties

Compound Name2-amino-1,3-dichloroanthracene-9,10-dione
PubChem CID626024
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name2-amino-1,3-dichloroanthracene-9,10-dione
SMILESNc1c(Cl)cc2c(c1Cl)C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H7Cl2NO2/c15-9-5-8-10(11(16)12(9)17)14(19)7-4-2-1-3-6(7)13(8)18/h1-5H,17H2
InChIKeyMDJJHOYSTOBSCY-UHFFFAOYSA-N
XLogP3.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-dichloroanthracene-9,10-dione?
The IUPAC name of 2-amino-1,3-dichloroanthracene-9,10-dione (CID 626024) is 2-amino-1,3-dichloroanthracene-9,10-dione.
What is the SMILES notation for 2-amino-1,3-dichloroanthracene-9,10-dione?
The canonical SMILES for 2-amino-1,3-dichloroanthracene-9,10-dione is Nc1c(Cl)cc2c(c1Cl)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-amino-1,3-dichloroanthracene-9,10-dione?
The InChIKey is MDJJHOYSTOBSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-9-5-8-10(11(16)12(9)17)14(19)7-4-2-1-3-6(7)13(8)18/h1-5H,17H2.
What are the key properties of 2-amino-1,3-dichloroanthracene-9,10-dione?
2-amino-1,3-dichloroanthracene-9,10-dione has a molecular weight of 292.12 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-dichloroanthracene-9,10-dione is sourced from PubChem (CID 626024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).