1-amino-2,4-dibromoanthracene-9,10-dione

C14H7Br2NO2 — CID 6681

IUPAC1-amino-2,4-dibromoanthracene-9,10-dione
SMILESNc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2
InChIKeyZINRVIQBCHAZMM-UHFFFAOYSA-N
MW381.02 g/mol
LogP3.57
Rot. Bonds

About 1-amino-2,4-dibromoanthracene-9,10-dione

1-amino-2,4-dibromoanthracene-9,10-dione (PubChem CID 6681) has the molecular formula C14H7Br2NO2 and a molecular weight of 381.02 g/mol. Its IUPAC name is 1-amino-2,4-dibromoanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-2,4-dibromoanthracene-9,10-dione
PubChem CID6681
Molecular FormulaC14H7Br2NO2
Molecular Weight381.02 g/mol
Exact Mass378.88
IUPAC Name1-amino-2,4-dibromoanthracene-9,10-dione
SMILESNc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2
InChIKeyZINRVIQBCHAZMM-UHFFFAOYSA-N
XLogP3.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.02
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-Amino-4-bromoanthraquinone
CID 627326
9,10-Anthracenedione, 1-bromo-4-(methylamino)-
CID 31418
1-Amino-4-bromo-2-methylanthraquinone
CID 66480
8-Amino-5,7-dibromo-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid
CID 222167
1,5-Diamino-2,4,6,8-tetrabromoanthraquinone
CID 66483
2-Amino-3-bromoanthraquinone
CID 80636
1,4-Diamino-2,3-dibromoanthraquinone
CID 80848
2-Amino-1-bromoanthraquinone
CID 459272
2-Amino-1,3-dibromoanthraquinone
CID 223668
2,4-Dibromo-1-(methylamino)anthracene-9,10-dione
CID 3472530
1-Amino-2-bromoanthraquinone
CID 236895
2-Amino-3,5-dibromobenzophenone
CID 2749073

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,4-dibromoanthracene-9,10-dione?
The IUPAC name of 1-amino-2,4-dibromoanthracene-9,10-dione (CID 6681) is 1-amino-2,4-dibromoanthracene-9,10-dione.
What is the SMILES notation for 1-amino-2,4-dibromoanthracene-9,10-dione?
The canonical SMILES for 1-amino-2,4-dibromoanthracene-9,10-dione is Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-2,4-dibromoanthracene-9,10-dione?
The InChIKey is ZINRVIQBCHAZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2NO2/c15-8-5-9(16)12(17)11-10(8)13(18)6-3-1-2-4-7(6)14(11)19/h1-5H,17H2.
What are the key properties of 1-amino-2,4-dibromoanthracene-9,10-dione?
1-amino-2,4-dibromoanthracene-9,10-dione has a molecular weight of 381.02 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,4-dibromoanthracene-9,10-dione is sourced from PubChem (CID 6681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).