5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine

C13H19BrN2 — CID 134591561

IUPAC5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine
SMILESCCCCc1cc(Br)cnc1N1CC(C)C1
InChIInChI=1S/C13H19BrN2/c1-3-4-5-11-6-12(14)7-15-13(11)16-8-10(2)9-16/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyKTRIHWQMGVDXAI-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.64
Rot. Bonds4

About 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine

5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine (PubChem CID 134591561) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine
PubChem CID134591561
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine
SMILESCCCCc1cc(Br)cnc1N1CC(C)C1
InChIInChI=1S/C13H19BrN2/c1-3-4-5-11-6-12(14)7-15-13(11)16-8-10(2)9-16/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyKTRIHWQMGVDXAI-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine?
The IUPAC name of 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine (CID 134591561) is 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine is CCCCc1cc(Br)cnc1N1CC(C)C1.
What is the InChIKey of 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine?
The InChIKey is KTRIHWQMGVDXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-3-4-5-11-6-12(14)7-15-13(11)16-8-10(2)9-16/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine?
5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine has a molecular weight of 283.21 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-butyl-2-(3-methylazetidin-1-yl)pyridine is sourced from PubChem (CID 134591561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).