5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one

C15H10BrN3O3 — CID 135559733

IUPAC5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one
SMILESCc1cc(Br)cc2c1NC(=O)/C2=N\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10BrN3O3/c1-8-6-9(16)7-12-13(8)18-15(20)14(12)17-10-2-4-11(5-3-10)19(21)22/h2-7H,1H3,(H,17,18,20)
InChIKeyPJKNJFMZSQEHEH-UHFFFAOYSA-N
MW360.17 g/mol
LogP3.74
Rot. Bonds2

About 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one

5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one (PubChem CID 135559733) has the molecular formula C15H10BrN3O3 and a molecular weight of 360.17 g/mol. Its IUPAC name is 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one
PubChem CID135559733
Molecular FormulaC15H10BrN3O3
Molecular Weight360.17 g/mol
Exact Mass358.99
IUPAC Name5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one
SMILESCc1cc(Br)cc2c1NC(=O)/C2=N\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10BrN3O3/c1-8-6-9(16)7-12-13(8)18-15(20)14(12)17-10-2-4-11(5-3-10)19(21)22/h2-7H,1H3,(H,17,18,20)
InChIKeyPJKNJFMZSQEHEH-UHFFFAOYSA-N
XLogP3.74
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559696
5-bromo-3-[4-(4-tert-butylphenoxy)phenyl]imino-7-methyl-1H-indol-2-one
CID 135559714
5-bromo-7-ethyl-3-(4-methylphenyl)imino-1H-indol-2-one
CID 135501542
5,6-difluoro-3-(4-nitrophenyl)imino-1H-indol-2-one
CID 135981210
5-bromo-7-methyl-3-(4-naphthalen-1-yloxyphenyl)imino-1H-indol-2-one
CID 135559686
5-bromo-3-(4-bromophenyl)imino-6-chloro-7-methyl-1H-indol-2-one
CID 135559779
3-(4-tert-butylphenyl)imino-5-nitro-1H-indol-2-one
CID 135799773
5-bromo-3-(2,5-dimethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559720
3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
CID 135519848
2-(4-nitrophenyl)imino-1,3-diazinane-4,6-dione
CID 135510190
3-(4-bromo-2-methylphenyl)imino-7-methyl-1H-indol-2-one
CID 135559452
3-(4-methoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135449508

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one?
The IUPAC name of 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one (CID 135559733) is 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one?
The canonical SMILES for 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one is Cc1cc(Br)cc2c1NC(=O)/C2=N\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one?
The InChIKey is PJKNJFMZSQEHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O3/c1-8-6-9(16)7-12-13(8)18-15(20)14(12)17-10-2-4-11(5-3-10)19(21)22/h2-7H,1H3,(H,17,18,20).
What are the key properties of 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one?
5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one has a molecular weight of 360.17 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-3-(4-nitrophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135559733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).