2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine

C11H15BrN2 — CID 87702483

IUPAC2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine
SMILESBrc1ccc(CCN2CCCC2)cn1
InChIInChI=1S/C11H15BrN2/c12-11-4-3-10(9-13-11)5-8-14-6-1-2-7-14/h3-4,9H,1-2,5-8H2
InChIKeyJQGYHRQBYIUJRG-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.48
Rot. Bonds3

About 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine

2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine (PubChem CID 87702483) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine
PubChem CID87702483
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine
SMILESBrc1ccc(CCN2CCCC2)cn1
InChIInChI=1S/C11H15BrN2/c12-11-4-3-10(9-13-11)5-8-14-6-1-2-7-14/h3-4,9H,1-2,5-8H2
InChIKeyJQGYHRQBYIUJRG-UHFFFAOYSA-N
XLogP2.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
2-(6-bromo-3-pyridinyl)ethanol
CID 22473220
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
5-(2-piperidin-1-ylethyl)pyrimidine
CID 89299412
[(3S)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanol
CID 97169637
[(3R)-1-[(6-bromo-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 97165519
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
3-bromo-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine;3-phenyl-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 158044709
1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
CID 71644395
3-bromo-2-(2-pyrrolidin-1-ylethyl)pyridine
CID 83919940
2-methyl-6-[4-(2-piperidin-1-ylethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 167786191
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine?
The IUPAC name of 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine (CID 87702483) is 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine.
What is the SMILES notation for 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine?
The canonical SMILES for 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine is Brc1ccc(CCN2CCCC2)cn1.
What is the InChIKey of 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine?
The InChIKey is JQGYHRQBYIUJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-11-4-3-10(9-13-11)5-8-14-6-1-2-7-14/h3-4,9H,1-2,5-8H2.
What are the key properties of 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine?
2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine has a molecular weight of 255.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-pyrrolidin-1-ylethyl)pyridine is sourced from PubChem (CID 87702483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).