2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine

C13H19BrN2 — CID 102539271

IUPAC2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine
SMILESCCCCN1CCCC1c1cccnc1Br
InChIInChI=1S/C13H19BrN2/c1-2-3-9-16-10-5-7-12(16)11-6-4-8-15-13(11)14/h4,6,8,12H,2-3,5,7,9-10H2,1H3
InChIKeyZHLXFBDEFRXDAR-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.78
Rot. Bonds4

About 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine

2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine (PubChem CID 102539271) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine
PubChem CID102539271
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine
SMILESCCCCN1CCCC1c1cccnc1Br
InChIInChI=1S/C13H19BrN2/c1-2-3-9-16-10-5-7-12(16)11-6-4-8-15-13(11)14/h4,6,8,12H,2-3,5,7,9-10H2,1H3
InChIKeyZHLXFBDEFRXDAR-UHFFFAOYSA-N
XLogP3.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.78
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-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine
CID 102539762
N-butyl-3-(1-butylpiperidin-2-yl)pyridin-2-amine
CID 102540271
3-(1-butylpiperidin-2-yl)-N,N-di(propan-2-yl)pyridin-2-amine
CID 102540016
3-(1-butylpiperidin-2-yl)-N-phenylpyridin-2-amine
CID 102540559
1-[3-(1-propylpyrrolidin-2-yl)-2-pyridinyl]azepane
CID 102541855
2-ethoxy-3-(1-propylpyrrolidin-2-yl)pyridine
CID 102539384
tert-butyl N-[3-(1-butylpiperidin-2-yl)-2-pyridinyl]-N-methylcarbamate
CID 102540751
1-butyl-2-phenylpiperidine
CID 10036306
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
3-(1-butylpyrrolidin-2-yl)quinoline
CID 102543349
3-[(2R)-1-butylpyrrolidin-2-yl]quinoline
CID 124500186
N-cyclopropyl-3-(1-propylpiperidin-2-yl)pyridin-2-amine
CID 102540332

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine?
The IUPAC name of 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine (CID 102539271) is 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine.
What is the SMILES notation for 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine?
The canonical SMILES for 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine is CCCCN1CCCC1c1cccnc1Br.
What is the InChIKey of 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine?
The InChIKey is ZHLXFBDEFRXDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-3-9-16-10-5-7-12(16)11-6-4-8-15-13(11)14/h4,6,8,12H,2-3,5,7,9-10H2,1H3.
What are the key properties of 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine?
2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine has a molecular weight of 283.21 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine is sourced from PubChem (CID 102539271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).