1-(7-bromo-1H-indol-3-yl)-2-chloroethanone

C10H7BrClNO — CID 28806672

IUPAC1-(7-bromo-1H-indol-3-yl)-2-chloroethanone
SMILESO=C(CCl)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C10H7BrClNO/c11-8-3-1-2-6-7(9(14)4-12)5-13-10(6)8/h1-3,5,13H,4H2
InChIKeyRASYGDVLNNHRLA-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.35
Rot. Bonds2

About 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone

1-(7-bromo-1H-indol-3-yl)-2-chloroethanone (PubChem CID 28806672) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(7-bromo-1H-indol-3-yl)-2-chloroethanone
PubChem CID28806672
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name1-(7-bromo-1H-indol-3-yl)-2-chloroethanone
SMILESO=C(CCl)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C10H7BrClNO/c11-8-3-1-2-6-7(9(14)4-12)5-13-10(6)8/h1-3,5,13H,4H2
InChIKeyRASYGDVLNNHRLA-UHFFFAOYSA-N
XLogP3.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
(3E)-7-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028251
7-bromo-1H-indole-3-carbothioamide
CID 171775732
8-bromo-4-oxo-1H-quinoline-3-carboxamide
CID 151043662
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
fluoro 8-bromo-4-oxo-1H-quinoline-3-carboxylate
CID 142605157
8-bromo-N-cyclopropyl-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 56792763
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
(7-bromo-1H-indol-3-yl) carbamate
CID 175391103
(7-bromo-1H-indol-3-yl)-(6-chloro-1H-benzimidazol-2-yl)methanone
CID 175875963
methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate
CID 25058616
2-(7-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 175336143

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone?
The IUPAC name of 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone (CID 28806672) is 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone.
What is the SMILES notation for 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone?
The canonical SMILES for 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone is O=C(CCl)c1c[nH]c2c(Br)cccc12.
What is the InChIKey of 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone?
The InChIKey is RASYGDVLNNHRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c11-8-3-1-2-6-7(9(14)4-12)5-13-10(6)8/h1-3,5,13H,4H2.
What are the key properties of 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone?
1-(7-bromo-1H-indol-3-yl)-2-chloroethanone has a molecular weight of 272.53 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1H-indol-3-yl)-2-chloroethanone is sourced from PubChem (CID 28806672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).