3-bromo-4,7-dimethoxy-1H-indole

C10H10BrNO2 — CID 13285273

IUPAC3-bromo-4,7-dimethoxy-1H-indole
SMILESCOc1ccc(OC)c2c(Br)c[nH]c12
InChIInChI=1S/C10H10BrNO2/c1-13-7-3-4-8(14-2)10-9(7)6(11)5-12-10/h3-5,12H,1-2H3
InChIKeyNNMGXOGXPJPWIY-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.95
Rot. Bonds2

About 3-bromo-4,7-dimethoxy-1H-indole

3-bromo-4,7-dimethoxy-1H-indole (PubChem CID 13285273) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-bromo-4,7-dimethoxy-1H-indole.

Molecular Properties

Compound Name3-bromo-4,7-dimethoxy-1H-indole
PubChem CID13285273
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name3-bromo-4,7-dimethoxy-1H-indole
SMILESCOc1ccc(OC)c2c(Br)c[nH]c12
InChIInChI=1S/C10H10BrNO2/c1-13-7-3-4-8(14-2)10-9(7)6(11)5-12-10/h3-5,12H,1-2H3
InChIKeyNNMGXOGXPJPWIY-UHFFFAOYSA-N
XLogP2.95
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4,7-dimethoxy-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-1H-indole
CID 138363
2-(7-methoxy-1H-indol-3-yl)ethan-1-amine
CID 17087
7-Methoxy-1H-indole
CID 76660
4,7-Dimethoxy-2,3-dimethyl-1h-indole
CID 266598
Tryptamine, 7-methoxy-N,N-dimethyl-
CID 594938
4,7-dimethoxy-1H-indole
CID 510119
3-(2-Aminoethyl)-7-methoxyindole
CID 17086
4-Bromo-7-methoxy-1H-indole
CID 46835540
3-bromo-5-methoxy-1H-indole
CID 29919651
6-bromo-1H-indole-4,7-diol
CID 10513513
[2-(7-Methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 12017580
N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-2-amine
CID 44382990

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,7-dimethoxy-1H-indole?
The IUPAC name of 3-bromo-4,7-dimethoxy-1H-indole (CID 13285273) is 3-bromo-4,7-dimethoxy-1H-indole.
What is the SMILES notation for 3-bromo-4,7-dimethoxy-1H-indole?
The canonical SMILES for 3-bromo-4,7-dimethoxy-1H-indole is COc1ccc(OC)c2c(Br)c[nH]c12.
What is the InChIKey of 3-bromo-4,7-dimethoxy-1H-indole?
The InChIKey is NNMGXOGXPJPWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-13-7-3-4-8(14-2)10-9(7)6(11)5-12-10/h3-5,12H,1-2H3.
What are the key properties of 3-bromo-4,7-dimethoxy-1H-indole?
3-bromo-4,7-dimethoxy-1H-indole has a molecular weight of 256.10 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,7-dimethoxy-1H-indole is sourced from PubChem (CID 13285273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).