3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole

C12H12BrFN2 — CID 84643065

IUPAC3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole
SMILESFc1ccc2[nH]c(C3CCCN3)c(Br)c2c1
InChIInChI=1S/C12H12BrFN2/c13-11-8-6-7(14)3-4-9(8)16-12(11)10-2-1-5-15-10/h3-4,6,10,15-16H,1-2,5H2
InChIKeyLJGFRONKKNBDBZ-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.49
Rot. Bonds1

About 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole

3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole (PubChem CID 84643065) has the molecular formula C12H12BrFN2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole
PubChem CID84643065
Molecular FormulaC12H12BrFN2
Molecular Weight283.14 g/mol
Exact Mass282.02
IUPAC Name3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole
SMILESFc1ccc2[nH]c(C3CCCN3)c(Br)c2c1
InChIInChI=1S/C12H12BrFN2/c13-11-8-6-7(14)3-4-9(8)16-12(11)10-2-1-5-15-10/h3-4,6,10,15-16H,1-2,5H2
InChIKeyLJGFRONKKNBDBZ-UHFFFAOYSA-N
XLogP3.49
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
CID 84642527
6-fluoro-3-methyl-2-piperidin-2-yl-1H-indole
CID 84627006
4-bromo-3-(2,5-difluorophenyl)-5-pyrrolidin-2-yl-1H-pyrazole
CID 84608392
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
CID 174947937
CID 174947937
3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84643966
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
2-(5-fluoro-3-methyl-1-benzofuran-2-yl)pyrrolidine
CID 81147541
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
1-(3-bromophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3933810

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole?
The IUPAC name of 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole (CID 84643065) is 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole.
What is the SMILES notation for 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole?
The canonical SMILES for 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole is Fc1ccc2[nH]c(C3CCCN3)c(Br)c2c1.
What is the InChIKey of 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole?
The InChIKey is LJGFRONKKNBDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2/c13-11-8-6-7(14)3-4-9(8)16-12(11)10-2-1-5-15-10/h3-4,6,10,15-16H,1-2,5H2.
What are the key properties of 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole?
3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole has a molecular weight of 283.14 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-pyrrolidin-2-yl-1H-indole is sourced from PubChem (CID 84643065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).