8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione

C15H9ClN2O3 — CID 10380093

IUPAC8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c(-c2cccnc2)c1=O
InChIInChI=1S/C15H9ClN2O3/c16-9-3-4-10-11(6-9)18-15(21)14(20)12(13(10)19)8-2-1-5-17-7-8/h1-7,19H,(H,18,20,21)
InChIKeyDAVILHNWKTWRMS-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.31
Rot. Bonds1

About 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione

8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione (PubChem CID 10380093) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione
PubChem CID10380093
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c(-c2cccnc2)c1=O
InChIInChI=1S/C15H9ClN2O3/c16-9-3-4-10-11(6-9)18-15(21)14(20)12(13(10)19)8-2-1-5-17-7-8/h1-7,19H,(H,18,20,21)
InChIKeyDAVILHNWKTWRMS-UHFFFAOYSA-N
XLogP2.31
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione?
The IUPAC name of 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione (CID 10380093) is 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione is O=c1[nH]c2cc(Cl)ccc2c(O)c(-c2cccnc2)c1=O.
What is the InChIKey of 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione?
The InChIKey is DAVILHNWKTWRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-9-3-4-10-11(6-9)18-15(21)14(20)12(13(10)19)8-2-1-5-17-7-8/h1-7,19H,(H,18,20,21).
What are the key properties of 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione?
8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione has a molecular weight of 300.70 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-hydroxy-4-pyridin-3-yl-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 10380093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).