5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one

C15H9BrClN3O — CID 75169547

IUPAC5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one
SMILESO=C1C(C=NNc2ccc(Cl)cc2)=Nc2ccc(Br)cc21
InChIInChI=1S/C15H9BrClN3O/c16-9-1-6-13-12(7-9)15(21)14(19-13)8-18-20-11-4-2-10(17)3-5-11/h1-8,20H
InChIKeyIYIMRAFNKKDZSF-UHFFFAOYSA-N
MW362.61 g/mol
LogP4.47
Rot. Bonds3

About 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one

5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one (PubChem CID 75169547) has the molecular formula C15H9BrClN3O and a molecular weight of 362.61 g/mol. Its IUPAC name is 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one.

Molecular Properties

Compound Name5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one
PubChem CID75169547
Molecular FormulaC15H9BrClN3O
Molecular Weight362.61 g/mol
Exact Mass360.96
IUPAC Name5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one
SMILESO=C1C(C=NNc2ccc(Cl)cc2)=Nc2ccc(Br)cc21
InChIInChI=1S/C15H9BrClN3O/c16-9-1-6-13-12(7-9)15(21)14(19-13)8-18-20-11-4-2-10(17)3-5-11/h1-8,20H
InChIKeyIYIMRAFNKKDZSF-UHFFFAOYSA-N
XLogP4.47
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one?
The IUPAC name of 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one (CID 75169547) is 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one.
What is the SMILES notation for 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one?
The canonical SMILES for 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one is O=C1C(C=NNc2ccc(Cl)cc2)=Nc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one?
The InChIKey is IYIMRAFNKKDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3O/c16-9-1-6-13-12(7-9)15(21)14(19-13)8-18-20-11-4-2-10(17)3-5-11/h1-8,20H.
What are the key properties of 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one?
5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one has a molecular weight of 362.61 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[(4-chlorophenyl)hydrazinylidene]methyl]indol-3-one is sourced from PubChem (CID 75169547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).