1-amino-5-chloro-4-hydroxyanthracene-9,10-dione

C14H8ClNO3 — CID 8322

IUPAC1-amino-5-chloro-4-hydroxyanthracene-9,10-dione
SMILESNc1ccc(O)c2c1C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C14H8ClNO3/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,17H,16H2
InChIKeyQAZNDGDSNIGKLU-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.40
Rot. Bonds

About 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione

1-amino-5-chloro-4-hydroxyanthracene-9,10-dione (PubChem CID 8322) has the molecular formula C14H8ClNO3 and a molecular weight of 273.68 g/mol. Its IUPAC name is 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-5-chloro-4-hydroxyanthracene-9,10-dione
PubChem CID8322
Molecular FormulaC14H8ClNO3
Molecular Weight273.68 g/mol
Exact Mass273.02
IUPAC Name1-amino-5-chloro-4-hydroxyanthracene-9,10-dione
SMILESNc1ccc(O)c2c1C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C14H8ClNO3/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,17H,16H2
InChIKeyQAZNDGDSNIGKLU-UHFFFAOYSA-N
XLogP2.40
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-Amino-4-hydroxyanthraquinone
CID 8323
1,8-Diamino-4,5-dihydroxyanthraquinone
CID 31419
1,5-Diamino-4,8-dihydroxyanthraquinone
CID 67351
9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-
CID 25528
1,4-Dichloro-5-[2-(dimethylamino)ethylamino]-8-hydroxyanthracene-9,10-dione
CID 13905025
5-Amino-8-hydroxy-1,4-naphthoquinone
CID 12424378
Serisol Brilliant Blue R
CID 80761
1,4-Dichloro-5-hydroxy-8-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
CID 13905026
N,N'-(9,10-Dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis(2,5-dichlorobenzamide)
CID 121638
9,10-Anthracenedione, 1-amino-2-chloro-4-hydroxy-
CID 75590
Benzamide, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis[ar-chloro-
CID 173240
4,5-Diamino-1-hydroxyanthracene-9,10-dione
CID 18510005

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione?
The IUPAC name of 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione (CID 8322) is 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione.
What is the SMILES notation for 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione?
The canonical SMILES for 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione is Nc1ccc(O)c2c1C(=O)c1cccc(Cl)c1C2=O.
What is the InChIKey of 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione?
The InChIKey is QAZNDGDSNIGKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO3/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5,17H,16H2.
What are the key properties of 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione?
1-amino-5-chloro-4-hydroxyanthracene-9,10-dione has a molecular weight of 273.68 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-chloro-4-hydroxyanthracene-9,10-dione is sourced from PubChem (CID 8322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).