5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione

C10H5I2NO3 — CID 67840682

IUPAC5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione
SMILESO=c1cc(O)c2cc(I)c(I)cc2[nH]c1=O
InChIInChI=1S/C10H5I2NO3/c11-5-1-4-7(2-6(5)12)13-10(16)9(15)3-8(4)14/h1-3,14H,(H,13,15,16)
InChIKeyFJCIKPITVHUPME-UHFFFAOYSA-N
MW440.96 g/mol
LogP1.80
Rot. Bonds

About 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione

5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione (PubChem CID 67840682) has the molecular formula C10H5I2NO3 and a molecular weight of 440.96 g/mol. Its IUPAC name is 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione
PubChem CID67840682
Molecular FormulaC10H5I2NO3
Molecular Weight440.96 g/mol
Exact Mass440.84
IUPAC Name5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione
SMILESO=c1cc(O)c2cc(I)c(I)cc2[nH]c1=O
InChIInChI=1S/C10H5I2NO3/c11-5-1-4-7(2-6(5)12)13-10(16)9(15)3-8(4)14/h1-3,14H,(H,13,15,16)
InChIKeyFJCIKPITVHUPME-UHFFFAOYSA-N
XLogP1.80
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.96
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-7,8-dipropyl-1H-1-benzazepine-2,3-dione
CID 57272632
5,6,7-trifluoro-3-hydroxy-1H-quinolin-2-one
CID 68614038
5-hydroxy-9-propyl-1H-1-benzazepine-2,3-dione
CID 57128434
5-hydroxy-8-methyl-7-nitro-6-(trifluoromethyl)-1H-1-benzazepine-2,3-dione
CID 54303178
8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 54726414
8-hydroxy-3-iodo-1H-quinolin-2-one
CID 91200284
6,8-dimethyl-1H-1-benzazepine-2,3-dione
CID 23354339
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
5-hydroxy-3-propyl-1H-quinolin-2-one
CID 101272468
2-chloro-3,8-dihydroxy-5H-phenanthridin-6-one
CID 164598426
8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
CID 57212353

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione?
The IUPAC name of 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione (CID 67840682) is 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione is O=c1cc(O)c2cc(I)c(I)cc2[nH]c1=O.
What is the InChIKey of 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione?
The InChIKey is FJCIKPITVHUPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5I2NO3/c11-5-1-4-7(2-6(5)12)13-10(16)9(15)3-8(4)14/h1-3,14H,(H,13,15,16).
What are the key properties of 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione?
5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione has a molecular weight of 440.96 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7,8-diiodo-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 67840682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).