6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione

C10H5Cl2NO3 — CID 54732816

IUPAC6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione
SMILESO=c1cc(O)c(=O)c2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-8(15)3-7(14)10(9)16/h1-3H,(H,13,15)(H,14,16)
InChIKeyUZPVBKBGQKOLED-UHFFFAOYSA-N
MW258.06 g/mol
LogP1.90
Rot. Bonds

About 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione

6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione (PubChem CID 54732816) has the molecular formula C10H5Cl2NO3 and a molecular weight of 258.06 g/mol. Its IUPAC name is 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione.

Molecular Properties

Compound Name6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione
PubChem CID54732816
Molecular FormulaC10H5Cl2NO3
Molecular Weight258.06 g/mol
Exact Mass256.96
IUPAC Name6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione
SMILESO=c1cc(O)c(=O)c2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-8(15)3-7(14)10(9)16/h1-3H,(H,13,15)(H,14,16)
InChIKeyUZPVBKBGQKOLED-UHFFFAOYSA-N
XLogP1.90
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione?
The IUPAC name of 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione (CID 54732816) is 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione.
What is the SMILES notation for 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione?
The canonical SMILES for 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione is O=c1cc(O)c(=O)c2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione?
The InChIKey is UZPVBKBGQKOLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-8(15)3-7(14)10(9)16/h1-3H,(H,13,15)(H,14,16).
What are the key properties of 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione?
6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione has a molecular weight of 258.06 g/mol, XLogP of 1.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione is sourced from PubChem (CID 54732816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).