2-amino-3-bromonaphthalene-1,4-dione

C10H6BrNO2 — CID 934233

IUPAC2-amino-3-bromonaphthalene-1,4-dione
SMILESNC1=C(Br)C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H6BrNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
InChIKeyYUZPBTZDKHZAQZ-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.63
Rot. Bonds

About 2-amino-3-bromonaphthalene-1,4-dione

2-amino-3-bromonaphthalene-1,4-dione (PubChem CID 934233) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 2-amino-3-bromonaphthalene-1,4-dione.

Molecular Properties

Compound Name2-amino-3-bromonaphthalene-1,4-dione
PubChem CID934233
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name2-amino-3-bromonaphthalene-1,4-dione
SMILESNC1=C(Br)C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H6BrNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
InChIKeyYUZPBTZDKHZAQZ-UHFFFAOYSA-N
XLogP1.63
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromonaphthalene-1,4-dione?
The IUPAC name of 2-amino-3-bromonaphthalene-1,4-dione (CID 934233) is 2-amino-3-bromonaphthalene-1,4-dione.
What is the SMILES notation for 2-amino-3-bromonaphthalene-1,4-dione?
The canonical SMILES for 2-amino-3-bromonaphthalene-1,4-dione is NC1=C(Br)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-amino-3-bromonaphthalene-1,4-dione?
The InChIKey is YUZPBTZDKHZAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2.
What are the key properties of 2-amino-3-bromonaphthalene-1,4-dione?
2-amino-3-bromonaphthalene-1,4-dione has a molecular weight of 252.07 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromonaphthalene-1,4-dione is sourced from PubChem (CID 934233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).