5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride

C9H12BrClN2 — CID 118998863

IUPAC5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
SMILESBrc1ccc(C2CCCN2)nc1.Cl
InChIInChI=1S/C9H11BrN2.ClH/c10-7-3-4-9(12-6-7)8-2-1-5-11-8;/h3-4,6,8,11H,1-2,5H2;1H
InChIKeyDJEWCXPOOYSKKO-UHFFFAOYSA-N
MW263.57 g/mol
LogP2.69
Rot. Bonds1

About 5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride

5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride (PubChem CID 118998863) has the molecular formula C9H12BrClN2 and a molecular weight of 263.57 g/mol. Its IUPAC name is 5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
PubChem CID118998863
Molecular FormulaC9H12BrClN2
Molecular Weight263.57 g/mol
Exact Mass261.99
IUPAC Name5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride
SMILESBrc1ccc(C2CCCN2)nc1.Cl
InChIInChI=1S/C9H11BrN2.ClH/c10-7-3-4-9(12-6-7)8-2-1-5-11-8;/h3-4,6,8,11H,1-2,5H2;1H
InChIKeyDJEWCXPOOYSKKO-UHFFFAOYSA-N
XLogP2.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride 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

5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
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;hydrochloride?
The IUPAC name of 5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride (CID 118998863) is 5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride.
What is the SMILES notation for 5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride?
The canonical SMILES for 5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride is Brc1ccc(C2CCCN2)nc1.Cl.
What is the InChIKey of 5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride?
The InChIKey is DJEWCXPOOYSKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2.ClH/c10-7-3-4-9(12-6-7)8-2-1-5-11-8;/h3-4,6,8,11H,1-2,5H2;1H.
What are the key properties of 5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride?
5-bromo-2-pyrrolidin-2-ylpyridine;hydrochloride has a molecular weight of 263.57 g/mol, XLogP of 2.69, 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;hydrochloride is sourced from PubChem (CID 118998863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).