8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one

C10H7BrN2O2 — CID 3018420

IUPAC8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one
SMILES[H]/N=C1\C=CC(=O)c2c(N)cc(Br)c(O)c21
InChIInChI=1S/C10H7BrN2O2/c11-4-3-6(13)8-7(14)2-1-5(12)9(8)10(4)15/h1-3,12,15H,13H2/b12-5+
InChIKeyUIZQEEPVXHNUOC-LFYBBSHMSA-N
MW267.08 g/mol
LogP1.86
Rot. Bonds

About 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one

8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one (PubChem CID 3018420) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one.

Molecular Properties

Compound Name8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one
PubChem CID3018420
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one
SMILES[H]/N=C1\C=CC(=O)c2c(N)cc(Br)c(O)c21
InChIInChI=1S/C10H7BrN2O2/c11-4-3-6(13)8-7(14)2-1-5(12)9(8)10(4)15/h1-3,12,15H,13H2/b12-5+
InChIKeyUIZQEEPVXHNUOC-LFYBBSHMSA-N
XLogP1.86
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one?
The IUPAC name of 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one (CID 3018420) is 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one.
What is the SMILES notation for 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one?
The canonical SMILES for 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one is [H]/N=C1\C=CC(=O)c2c(N)cc(Br)c(O)c21.
What is the InChIKey of 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one?
The InChIKey is UIZQEEPVXHNUOC-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-4-3-6(13)8-7(14)2-1-5(12)9(8)10(4)15/h1-3,12,15H,13H2/b12-5+.
What are the key properties of 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one?
8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one has a molecular weight of 267.08 g/mol, XLogP of 1.86, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-bromo-5-hydroxy-4-iminonaphthalen-1-one is sourced from PubChem (CID 3018420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).