6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole

C13H15BrN2 — CID 83489089

IUPAC6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESBrc1ccc2cc(CC3CCNC3)[nH]c2c1
InChIInChI=1S/C13H15BrN2/c14-11-2-1-10-6-12(16-13(10)7-11)5-9-3-4-15-8-9/h1-2,6-7,9,15-16H,3-5,8H2
InChIKeyGSDMBCQISSEKHT-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.08
Rot. Bonds2

About 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole

6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole (PubChem CID 83489089) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole
PubChem CID83489089
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESBrc1ccc2cc(CC3CCNC3)[nH]c2c1
InChIInChI=1S/C13H15BrN2/c14-11-2-1-10-6-12(16-13(10)7-11)5-9-3-4-15-8-9/h1-2,6-7,9,15-16H,3-5,8H2
InChIKeyGSDMBCQISSEKHT-UHFFFAOYSA-N
XLogP3.08
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-(pyrrolidin-3-ylmethyl)-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

3-[(6-bromo-1H-indol-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 162661575
6-bromo-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84645834
2-[(2S)-azetidin-2-yl]-6-bromo-1H-indole
CID 130730124
6-bromo-2-octyl-1H-indole
CID 86224131
5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877631
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773
5-(pyrrolidin-3-ylmethyl)-1H-indole
CID 82607721
6-bromo-2-(ethylsulfonylmethyl)-1H-indole
CID 117180107
5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84644930
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
6-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-1H-indol-2-amine;hydrochloride
CID 141253343
4-bromo-2-(pyrrolidin-3-ylmethylsulfanyl)aniline
CID 79533924

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole?
The IUPAC name of 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole (CID 83489089) is 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole is Brc1ccc2cc(CC3CCNC3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole?
The InChIKey is GSDMBCQISSEKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c14-11-2-1-10-6-12(16-13(10)7-11)5-9-3-4-15-8-9/h1-2,6-7,9,15-16H,3-5,8H2.
What are the key properties of 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole?
6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole has a molecular weight of 279.18 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(pyrrolidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 83489089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).