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

C9H8BrN — CID 52987704

IUPAC4-bromo-3-methyl-1H-indole
SMILESCc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C9H8BrN/c1-6-5-11-8-4-2-3-7(10)9(6)8/h2-5,11H,1H3
InChIKeyHQYNWUZMWCHKGJ-UHFFFAOYSA-N
MW210.07 g/mol
LogP3.24
Rot. Bonds

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

4-bromo-3-methyl-1H-indole (PubChem CID 52987704) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 4-bromo-3-methyl-1H-indole.

Molecular Properties

Compound Name4-bromo-3-methyl-1H-indole
PubChem CID52987704
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name4-bromo-3-methyl-1H-indole
SMILESCc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C9H8BrN/c1-6-5-11-8-4-2-3-7(10)9(6)8/h2-5,11H,1H3
InChIKeyHQYNWUZMWCHKGJ-UHFFFAOYSA-N
XLogP3.24
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-3-fluoro-1H-indole
CID 66817286
4-bromo-3-methylsulfanyl-1H-indole
CID 152778535
3,4-dimethyl-1H-indole;ethane
CID 143293593
4-iodo-3-methyl-1H-indole
CID 126755505
N,N,3-trimethyl-1H-indol-4-amine
CID 71336754
5-bromo-4-chloro-3-methyl-1H-indole
CID 58220952
3-methyl-4-propan-2-yl-1H-indole
CID 142488673
2-(4-bromo-1H-indol-3-yl)acetaldehyde
CID 117194859
methane;3-methyl-1H-indole-4-carbonitrile
CID 161218603
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
3-methyl-1H-indole-4-carboxylate
CID 51777087
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-1H-indole?
The IUPAC name of 4-bromo-3-methyl-1H-indole (CID 52987704) is 4-bromo-3-methyl-1H-indole.
What is the SMILES notation for 4-bromo-3-methyl-1H-indole?
The canonical SMILES for 4-bromo-3-methyl-1H-indole is Cc1c[nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-methyl-1H-indole?
The InChIKey is HQYNWUZMWCHKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c1-6-5-11-8-4-2-3-7(10)9(6)8/h2-5,11H,1H3.
What are the key properties of 4-bromo-3-methyl-1H-indole?
4-bromo-3-methyl-1H-indole has a molecular weight of 210.07 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-1H-indole is sourced from PubChem (CID 52987704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).