8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione

C10H6BrNO3 — CID 10400801

IUPAC8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione
SMILESO=c1cc(O)c2ccc(Br)cc2[nH]c1=O
InChIInChI=1S/C10H6BrNO3/c11-5-1-2-6-7(3-5)12-10(15)9(14)4-8(6)13/h1-4,13H,(H,12,14,15)
InChIKeyVCORQELOMRIIBS-UHFFFAOYSA-N
MW268.07 g/mol
LogP1.36
Rot. Bonds

About 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione

8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione (PubChem CID 10400801) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione
PubChem CID10400801
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione
SMILESO=c1cc(O)c2ccc(Br)cc2[nH]c1=O
InChIInChI=1S/C10H6BrNO3/c11-5-1-2-6-7(3-5)12-10(15)9(14)4-8(6)13/h1-4,13H,(H,12,14,15)
InChIKeyVCORQELOMRIIBS-UHFFFAOYSA-N
XLogP1.36
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,5-Dihydro-2,5-dioxo-3-hydroxy-8-methyl-1H-benzazepine
CID 126810
8-fluoro-5-hydroxy-1H-1-benzazepine-2,3-dione
CID 15029643
3-hydroxy-1H-1-benzazepine-2,5-dione
CID 21812299
6-Bromo-4-hydroxyquinolin-2(1H)-one
CID 54689446
N-(3-bromophenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54678831
7-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione
CID 10778276
3-Bromoquinoline-2,4-diol
CID 54679311
6,7-dibromo-4-hydroxy-1H-quinolin-2-one
CID 54697227
N-(4-bromophenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54684075
(Z)-N-(4-bromophenyl)-2-hydroxy-4-oxo-4-phenylbut-2-enamide
CID 1914329
3,6-Dibromo-4-hydroxyquinolin-2(1H)-one
CID 127255574
6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione
CID 15029646

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione?
The IUPAC name of 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione (CID 10400801) is 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione is O=c1cc(O)c2ccc(Br)cc2[nH]c1=O.
What is the InChIKey of 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione?
The InChIKey is VCORQELOMRIIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-5-1-2-6-7(3-5)12-10(15)9(14)4-8(6)13/h1-4,13H,(H,12,14,15).
What are the key properties of 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione?
8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione has a molecular weight of 268.07 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-hydroxy-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 10400801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).