5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one

C14H8BrClN2O2 — CID 135467452

IUPAC5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1cc(Cl)ccc1O
InChIInChI=1S/C14H8BrClN2O2/c15-7-1-3-10-9(5-7)13(14(20)18-10)17-11-6-8(16)2-4-12(11)19/h1-6,19H,(H,17,18,20)
InChIKeyLBPCQZNIHVOXOO-UHFFFAOYSA-N
MW351.59 g/mol
LogP3.88
Rot. Bonds1

About 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one

5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one (PubChem CID 135467452) has the molecular formula C14H8BrClN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one
PubChem CID135467452
Molecular FormulaC14H8BrClN2O2
Molecular Weight351.59 g/mol
Exact Mass349.95
IUPAC Name5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=N/c1cc(Cl)ccc1O
InChIInChI=1S/C14H8BrClN2O2/c15-7-1-3-10-9(5-7)13(14(20)18-10)17-11-6-8(16)2-4-12(11)19/h1-6,19H,(H,17,18,20)
InChIKeyLBPCQZNIHVOXOO-UHFFFAOYSA-N
XLogP3.88
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one?
The IUPAC name of 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one (CID 135467452) is 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=N/c1cc(Cl)ccc1O.
What is the InChIKey of 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one?
The InChIKey is LBPCQZNIHVOXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2/c15-7-1-3-10-9(5-7)13(14(20)18-10)17-11-6-8(16)2-4-12(11)19/h1-6,19H,(H,17,18,20).
What are the key properties of 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one?
5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one has a molecular weight of 351.59 g/mol, XLogP of 3.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-chloro-2-hydroxyphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135467452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).