9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

C16H10BrIN2O — CID 6538742

IUPAC9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccc(Br)cc23)-c2cc(I)ccc2N1
InChIInChI=1S/C16H10BrIN2O/c17-8-1-3-13-10(5-8)11-7-15(21)19-14-4-2-9(18)6-12(14)16(11)20-13/h1-6,20H,7H2,(H,19,21)
InChIKeyJKVBIBIZBZBAKL-UHFFFAOYSA-N
MW453.08 g/mol
LogP4.70
Rot. Bonds

About 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (PubChem CID 6538742) has the molecular formula C16H10BrIN2O and a molecular weight of 453.08 g/mol. Its IUPAC name is 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
PubChem CID6538742
Molecular FormulaC16H10BrIN2O
Molecular Weight453.08 g/mol
Exact Mass451.90
IUPAC Name9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccc(Br)cc23)-c2cc(I)ccc2N1
InChIInChI=1S/C16H10BrIN2O/c17-8-1-3-13-10(5-8)11-7-15(21)19-14-4-2-9(18)6-12(14)16(11)20-13/h1-6,20H,7H2,(H,19,21)
InChIKeyJKVBIBIZBZBAKL-UHFFFAOYSA-N
XLogP4.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.08
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (CID 6538742) is 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is O=C1Cc2c([nH]c3ccc(Br)cc23)-c2cc(I)ccc2N1.
What is the InChIKey of 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The InChIKey is JKVBIBIZBZBAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrIN2O/c17-8-1-3-13-10(5-8)11-7-15(21)19-14-4-2-9(18)6-12(14)16(11)20-13/h1-6,20H,7H2,(H,19,21).
What are the key properties of 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one has a molecular weight of 453.08 g/mol, XLogP of 4.70, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-iodo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 6538742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).