1-(2,7-dichloro-1H-indol-3-yl)ethanone

C10H7Cl2NO — CID 82269325

IUPAC1-(2,7-dichloro-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)[nH]c2c(Cl)cccc12
InChIInChI=1S/C10H7Cl2NO/c1-5(14)8-6-3-2-4-7(11)9(6)13-10(8)12/h2-4,13H,1H3
InChIKeyJRDWINSCFGREDE-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.68
Rot. Bonds1

About 1-(2,7-dichloro-1H-indol-3-yl)ethanone

1-(2,7-dichloro-1H-indol-3-yl)ethanone (PubChem CID 82269325) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-(2,7-dichloro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,7-dichloro-1H-indol-3-yl)ethanone
PubChem CID82269325
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name1-(2,7-dichloro-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)[nH]c2c(Cl)cccc12
InChIInChI=1S/C10H7Cl2NO/c1-5(14)8-6-3-2-4-7(11)9(6)13-10(8)12/h2-4,13H,1H3
InChIKeyJRDWINSCFGREDE-UHFFFAOYSA-N
XLogP3.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 83826113
N-(4-acetylphenyl)-7-chloro-2-methyl-1H-indole-3-carboxamide
CID 110861142
7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
CID 65335287
1-[4-(7-chloro-2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 110850320
methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate
CID 141445406
1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
CID 82494396
7-chloro-3-ethyl-1H-indole-2-carboxylic acid
CID 84624480
1-(2,7-dichloro-1-methylindol-3-yl)ethanone
CID 82269332
3-bromo-7-chloro-1H-indole-2-carboxylic acid
CID 84810523
7-chloro-N-(furan-2-ylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 110850474
5-chloro-9-oxo-10H-acridine-4-carboxylic acid
CID 620439
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
CID 670543

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dichloro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2,7-dichloro-1H-indol-3-yl)ethanone (CID 82269325) is 1-(2,7-dichloro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2,7-dichloro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2,7-dichloro-1H-indol-3-yl)ethanone is CC(=O)c1c(Cl)[nH]c2c(Cl)cccc12.
What is the InChIKey of 1-(2,7-dichloro-1H-indol-3-yl)ethanone?
The InChIKey is JRDWINSCFGREDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-5(14)8-6-3-2-4-7(11)9(6)13-10(8)12/h2-4,13H,1H3.
What are the key properties of 1-(2,7-dichloro-1H-indol-3-yl)ethanone?
1-(2,7-dichloro-1H-indol-3-yl)ethanone has a molecular weight of 228.08 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dichloro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 82269325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).