5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine

C12H17BrN2O — CID 118498951

IUPAC5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine
SMILESBrc1ccc(OCCCC2CCNC2)nc1
InChIInChI=1S/C12H17BrN2O/c13-11-3-4-12(15-9-11)16-7-1-2-10-5-6-14-8-10/h3-4,9-10,14H,1-2,5-8H2
InChIKeyZCAJFTCBYSTNFM-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.61
Rot. Bonds5

About 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine

5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine (PubChem CID 118498951) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine
PubChem CID118498951
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine
SMILESBrc1ccc(OCCCC2CCNC2)nc1
InChIInChI=1S/C12H17BrN2O/c13-11-3-4-12(15-9-11)16-7-1-2-10-5-6-14-8-10/h3-4,9-10,14H,1-2,5-8H2
InChIKeyZCAJFTCBYSTNFM-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
CID 71636388
5-bromo-2-(piperidin-3-ylmethoxy)pyridine;hydrochloride
CID 71303667
5-bromo-2-[3-(1-methylpiperidin-4-yl)propoxy]pyridine
CID 57434768
5-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 71303659
6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796308
(3R)-3-[3-(3-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 170312807
5-bromo-2-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 71636389
5-bromo-2-[(3R)-piperidin-3-yl]oxypyridine
CID 71636380
2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
CID 97178299
5-bromo-2-piperidin-3-yloxypyridine;hydrochloride
CID 71636384
5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796523

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine?
The IUPAC name of 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine (CID 118498951) is 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine.
What is the SMILES notation for 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine?
The canonical SMILES for 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine is Brc1ccc(OCCCC2CCNC2)nc1.
What is the InChIKey of 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine?
The InChIKey is ZCAJFTCBYSTNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-3-4-12(15-9-11)16-7-1-2-10-5-6-14-8-10/h3-4,9-10,14H,1-2,5-8H2.
What are the key properties of 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine?
5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine has a molecular weight of 285.18 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-pyrrolidin-3-ylpropoxy)pyridine is sourced from PubChem (CID 118498951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).