1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone

C10H7BrClNO — CID 154727190

IUPAC1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2c(Br)ccc(Cl)c12
InChIInChI=1S/C10H7BrClNO/c1-5(14)6-4-13-10-7(11)2-3-8(12)9(6)10/h2-4,13H,1H3
InChIKeyAXRLNADRMQGSEY-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.79
Rot. Bonds1

About 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone

1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone (PubChem CID 154727190) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone
PubChem CID154727190
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2c(Br)ccc(Cl)c12
InChIInChI=1S/C10H7BrClNO/c1-5(14)6-4-13-10-7(11)2-3-8(12)9(6)10/h2-4,13H,1H3
InChIKeyAXRLNADRMQGSEY-UHFFFAOYSA-N
XLogP3.79
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-4-chloro-3-methyl-1H-indole
CID 69463982
4-chloro-7-methyl-1H-indole-3-carboxylic acid
CID 131457272
3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
CID 46398194
6-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 178093253
3,4-dibromo-7-chloro-1H-indole
CID 178073407
1-(4,7-difluoro-1H-indol-3-yl)ethanone;formyl chloride
CID 168946898
5-acetyl-3-(3-bromo-4-chlorophenyl)-1H-pyrimidine-2,4-dione
CID 80643787
4-bromo-7-methyl-1H-indole-3-carboxylic acid
CID 130048536
1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 133058495
3,5-dibromo-8-chloro-1H-quinolin-4-one
CID 114759466
methyl 3-(4-chloro-7-methyl-1H-indol-3-yl)-3-oxopropanoate
CID 82667196
methyl 4-bromo-7-methyl-1H-indole-3-carboxylate
CID 130049659

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone (CID 154727190) is 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone is CC(=O)c1c[nH]c2c(Br)ccc(Cl)c12.
What is the InChIKey of 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone?
The InChIKey is AXRLNADRMQGSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-5(14)6-4-13-10-7(11)2-3-8(12)9(6)10/h2-4,13H,1H3.
What are the key properties of 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone?
1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone has a molecular weight of 272.53 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 154727190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).