2-bromo-6-chloro-3-methyl-1H-indole

C9H7BrClN — CID 84631725

IUPAC2-bromo-6-chloro-3-methyl-1H-indole
SMILESCc1c(Br)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H7BrClN/c1-5-7-3-2-6(11)4-8(7)12-9(5)10/h2-4,12H,1H3
InChIKeyZYBYMGPFAIZZCM-UHFFFAOYSA-N
MW244.52 g/mol
LogP3.89
Rot. Bonds

About 2-bromo-6-chloro-3-methyl-1H-indole

2-bromo-6-chloro-3-methyl-1H-indole (PubChem CID 84631725) has the molecular formula C9H7BrClN and a molecular weight of 244.52 g/mol. Its IUPAC name is 2-bromo-6-chloro-3-methyl-1H-indole.

Molecular Properties

Compound Name2-bromo-6-chloro-3-methyl-1H-indole
PubChem CID84631725
Molecular FormulaC9H7BrClN
Molecular Weight244.52 g/mol
Exact Mass242.95
IUPAC Name2-bromo-6-chloro-3-methyl-1H-indole
SMILESCc1c(Br)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H7BrClN/c1-5-7-3-2-6(11)4-8(7)12-9(5)10/h2-4,12H,1H3
InChIKeyZYBYMGPFAIZZCM-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

2-bromo-3,7-dichloro-1H-quinolin-4-one
CID 174901251
2-bromo-3,6-dimethyl-1H-indole;carbon dioxide
CID 158710604
2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine
CID 84624306
7-chloro-4-methyl-9H-carbazol-2-amine
CID 174859290
6-bromo-2-(5-chloro-1H-indol-2-yl)-3-methyl-1H-indole
CID 129127438
3-bromo-6-chloro-2-cyclopropyl-1H-indole
CID 82379195
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
6-chloro-2-(6-chloro-3-oxido-1H-indol-2-yl)-1H-indol-3-olate
CID 101005801
2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278454
N-[(3-bromo-6-chloro-1H-indol-2-yl)methyl]propan-2-amine
CID 84644665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-3-methyl-1H-indole?
The IUPAC name of 2-bromo-6-chloro-3-methyl-1H-indole (CID 84631725) is 2-bromo-6-chloro-3-methyl-1H-indole.
What is the SMILES notation for 2-bromo-6-chloro-3-methyl-1H-indole?
The canonical SMILES for 2-bromo-6-chloro-3-methyl-1H-indole is Cc1c(Br)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-bromo-6-chloro-3-methyl-1H-indole?
The InChIKey is ZYBYMGPFAIZZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN/c1-5-7-3-2-6(11)4-8(7)12-9(5)10/h2-4,12H,1H3.
What are the key properties of 2-bromo-6-chloro-3-methyl-1H-indole?
2-bromo-6-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 2-bromo-6-chloro-3-methyl-1H-indole is sourced from PubChem (CID 84631725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).