7-bromo-4-chloro-3-methyl-1H-indole

C9H7BrClN — CID 69463982

IUPAC7-bromo-4-chloro-3-methyl-1H-indole
SMILESCc1c[nH]c2c(Br)ccc(Cl)c12
InChIInChI=1S/C9H7BrClN/c1-5-4-12-9-6(10)2-3-7(11)8(5)9/h2-4,12H,1H3
InChIKeyKPEUFSVAIKAJGC-UHFFFAOYSA-N
MW244.52 g/mol
LogP3.89
Rot. Bonds

About 7-bromo-4-chloro-3-methyl-1H-indole

7-bromo-4-chloro-3-methyl-1H-indole (PubChem CID 69463982) has the molecular formula C9H7BrClN and a molecular weight of 244.52 g/mol. Its IUPAC name is 7-bromo-4-chloro-3-methyl-1H-indole.

Molecular Properties

Compound Name7-bromo-4-chloro-3-methyl-1H-indole
PubChem CID69463982
Molecular FormulaC9H7BrClN
Molecular Weight244.52 g/mol
Exact Mass242.95
IUPAC Name7-bromo-4-chloro-3-methyl-1H-indole
SMILESCc1c[nH]c2c(Br)ccc(Cl)c12
InChIInChI=1S/C9H7BrClN/c1-5-4-12-9-6(10)2-3-7(11)8(5)9/h2-4,12H,1H3
InChIKeyKPEUFSVAIKAJGC-UHFFFAOYSA-N
XLogP3.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-bromo-3-methyl-1H-indol-4-ol
CID 130049779
1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone
CID 154727190
5-bromo-4-chloro-3-methyl-1H-indole
CID 58220952
3,4-dibromo-7-chloro-1H-indole
CID 178073407
7-chloro-3-methyl-1H-indol-4-ol
CID 131972082
3-bromo-8-chloro-5-methyl-1H-quinolin-4-one
CID 107627876
3-bromo-7-chloro-4-fluoro-1H-indole
CID 130052193
3,5-dibromo-8-chloro-1H-quinolin-4-one
CID 114759466
7-bromo-3-ethoxy-4-methyl-1H-indole
CID 130113819
6-bromo-3-chloro-5-fluoro-8-methyl-1H-quinolin-4-one
CID 114759607
8-bromo-5-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 155399075
4-chloro-7-methyl-1H-indole-3-carboxylic acid
CID 131457272

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-3-methyl-1H-indole?
The IUPAC name of 7-bromo-4-chloro-3-methyl-1H-indole (CID 69463982) is 7-bromo-4-chloro-3-methyl-1H-indole.
What is the SMILES notation for 7-bromo-4-chloro-3-methyl-1H-indole?
The canonical SMILES for 7-bromo-4-chloro-3-methyl-1H-indole is Cc1c[nH]c2c(Br)ccc(Cl)c12.
What is the InChIKey of 7-bromo-4-chloro-3-methyl-1H-indole?
The InChIKey is KPEUFSVAIKAJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN/c1-5-4-12-9-6(10)2-3-7(11)8(5)9/h2-4,12H,1H3.
What are the key properties of 7-bromo-4-chloro-3-methyl-1H-indole?
7-bromo-4-chloro-3-methyl-1H-indole has a molecular weight of 244.52 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-3-methyl-1H-indole is sourced from PubChem (CID 69463982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).