5-bromo-2-pyrrolidin-2-ylpyridine

C9H11BrN2 — CID 67294409

IUPAC5-bromo-2-pyrrolidin-2-ylpyridine
SMILESBrc1ccc(C2CCCN2)nc1
InChIInChI=1S/C9H11BrN2/c10-7-3-4-9(12-6-7)8-2-1-5-11-8/h3-4,6,8,11H,1-2,5H2
InChIKeyJLTGSHMIZYILLU-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.27
Rot. Bonds1

About 5-bromo-2-pyrrolidin-2-ylpyridine

5-bromo-2-pyrrolidin-2-ylpyridine (PubChem CID 67294409) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 5-bromo-2-pyrrolidin-2-ylpyridine.

Molecular Properties

Compound Name5-bromo-2-pyrrolidin-2-ylpyridine
PubChem CID67294409
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name5-bromo-2-pyrrolidin-2-ylpyridine
SMILESBrc1ccc(C2CCCN2)nc1
InChIInChI=1S/C9H11BrN2/c10-7-3-4-9(12-6-7)8-2-1-5-11-8/h3-4,6,8,11H,1-2,5H2
InChIKeyJLTGSHMIZYILLU-UHFFFAOYSA-N
XLogP2.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
CID 118998863
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
2-(azetidin-2-yl)-5-bromopyridine
CID 112693368
2-[(2S)-azetidin-2-yl]-5-bromopyridine
CID 131039507
6-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55275999
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900829
5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55274091
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid
CID 124993884
5-bromo-2-(thian-4-yl)pyridine
CID 155970460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolidin-2-ylpyridine?
The IUPAC name of 5-bromo-2-pyrrolidin-2-ylpyridine (CID 67294409) is 5-bromo-2-pyrrolidin-2-ylpyridine.
What is the SMILES notation for 5-bromo-2-pyrrolidin-2-ylpyridine?
The canonical SMILES for 5-bromo-2-pyrrolidin-2-ylpyridine is Brc1ccc(C2CCCN2)nc1.
What is the InChIKey of 5-bromo-2-pyrrolidin-2-ylpyridine?
The InChIKey is JLTGSHMIZYILLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c10-7-3-4-9(12-6-7)8-2-1-5-11-8/h3-4,6,8,11H,1-2,5H2.
What are the key properties of 5-bromo-2-pyrrolidin-2-ylpyridine?
5-bromo-2-pyrrolidin-2-ylpyridine has a molecular weight of 227.10 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 67294409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).