3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine

C17H19FN2 — CID 67821251

IUPAC3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCCC1(Cc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C17H19FN2/c1-20-11-3-9-17(20,15-4-2-10-19-13-15)12-14-5-7-16(18)8-6-14/h2,4-8,10,13H,3,9,11-12H2,1H3
InChIKeySLHZQVJKKYWNFL-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.38
Rot. Bonds3

About 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine

3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 67821251) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine
PubChem CID67821251
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCCC1(Cc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C17H19FN2/c1-20-11-3-9-17(20,15-4-2-10-19-13-15)12-14-5-7-16(18)8-6-14/h2,4-8,10,13H,3,9,11-12H2,1H3
InChIKeySLHZQVJKKYWNFL-UHFFFAOYSA-N
XLogP3.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine (CID 67821251) is 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine is CN1CCCC1(Cc1ccc(F)cc1)c1cccnc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is SLHZQVJKKYWNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-20-11-3-9-17(20,15-4-2-10-19-13-15)12-14-5-7-16(18)8-6-14/h2,4-8,10,13H,3,9,11-12H2,1H3.
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine?
3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 270.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 67821251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).