5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine

C18H21FN2 — CID 77097083

IUPAC5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCCc1ccc(CN2CCC(c3ccc(F)cc3)C2)nc1
InChIInChI=1S/C18H21FN2/c1-2-14-3-8-18(20-11-14)13-21-10-9-16(12-21)15-4-6-17(19)7-5-15/h3-8,11,16H,2,9-10,12-13H2,1H3
InChIKeyNAEWZTQYELOOSV-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.77
Rot. Bonds4

About 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine

5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 77097083) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID77097083
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCCc1ccc(CN2CCC(c3ccc(F)cc3)C2)nc1
InChIInChI=1S/C18H21FN2/c1-2-14-3-8-18(20-11-14)13-21-10-9-16(12-21)15-4-6-17(19)7-5-15/h3-8,11,16H,2,9-10,12-13H2,1H3
InChIKeyNAEWZTQYELOOSV-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine (CID 77097083) is 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine is CCc1ccc(CN2CCC(c3ccc(F)cc3)C2)nc1.
What is the InChIKey of 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is NAEWZTQYELOOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-14-3-8-18(20-11-14)13-21-10-9-16(12-21)15-4-6-17(19)7-5-15/h3-8,11,16H,2,9-10,12-13H2,1H3.
What are the key properties of 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine?
5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 284.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 77097083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).