1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone

C10H9BrINO — CID 14059145

IUPAC1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2ccc(Br)c(I)c21
InChIInChI=1S/C10H9BrINO/c1-6(14)13-5-4-7-2-3-8(11)9(12)10(7)13/h2-3H,4-5H2,1H3
InChIKeyIPXLNYPIQRNSTO-UHFFFAOYSA-N
MW366.00 g/mol
LogP2.96
Rot. Bonds

About 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone

1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone (PubChem CID 14059145) has the molecular formula C10H9BrINO and a molecular weight of 366.00 g/mol. Its IUPAC name is 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone
PubChem CID14059145
Molecular FormulaC10H9BrINO
Molecular Weight366.00 g/mol
Exact Mass364.89
IUPAC Name1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2ccc(Br)c(I)c21
InChIInChI=1S/C10H9BrINO/c1-6(14)13-5-4-7-2-3-8(11)9(12)10(7)13/h2-3H,4-5H2,1H3
InChIKeyIPXLNYPIQRNSTO-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.00
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodo-6-methyl-2,3-dihydroindol-1-yl)ethanone
CID 178096572
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide
CID 112537123
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
CID 102233608
4-(1-acetyl-6-fluoro-2,3-dihydroindol-7-yl)butan-2-one
CID 122217871
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684
1-(5-bromo-4-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 82380433
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone (CID 14059145) is 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2ccc(Br)c(I)c21.
What is the InChIKey of 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is IPXLNYPIQRNSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrINO/c1-6(14)13-5-4-7-2-3-8(11)9(12)10(7)13/h2-3H,4-5H2,1H3.
What are the key properties of 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone?
1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 366.00 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 14059145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).