2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine

C15H21FN2 — CID 165138381

IUPAC2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine
SMILESC=C(c1ccnc(CCCC)c1)N1CCC(F)C1
InChIInChI=1S/C15H21FN2/c1-3-4-5-15-10-13(6-8-17-15)12(2)18-9-7-14(16)11-18/h6,8,10,14H,2-5,7,9,11H2,1H3
InChIKeyVZQJWNZZYOMPOO-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.44
Rot. Bonds5

About 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine

2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine (PubChem CID 165138381) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine
PubChem CID165138381
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine
SMILESC=C(c1ccnc(CCCC)c1)N1CCC(F)C1
InChIInChI=1S/C15H21FN2/c1-3-4-5-15-10-13(6-8-17-15)12(2)18-9-7-14(16)11-18/h6,8,10,14H,2-5,7,9,11H2,1H3
InChIKeyVZQJWNZZYOMPOO-UHFFFAOYSA-N
XLogP3.44
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine?
The IUPAC name of 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine (CID 165138381) is 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine.
What is the SMILES notation for 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine?
The canonical SMILES for 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine is C=C(c1ccnc(CCCC)c1)N1CCC(F)C1.
What is the InChIKey of 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine?
The InChIKey is VZQJWNZZYOMPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-3-4-5-15-10-13(6-8-17-15)12(2)18-9-7-14(16)11-18/h6,8,10,14H,2-5,7,9,11H2,1H3.
What are the key properties of 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine?
2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine has a molecular weight of 248.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[1-(3-fluoropyrrolidin-1-yl)ethenyl]pyridine is sourced from PubChem (CID 165138381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).