5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine

C14H21FN2 — CID 118632947

IUPAC5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine
SMILESCC(C)(C)c1ccc(CN2CC[C@H](F)C2)nc1
InChIInChI=1S/C14H21FN2/c1-14(2,3)11-4-5-13(16-8-11)10-17-7-6-12(15)9-17/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m0/s1
InChIKeyVTDLZHGIUIIAEF-LBPRGKRZSA-N
MW236.33 g/mol
LogP2.92
Rot. Bonds2

About 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine

5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine (PubChem CID 118632947) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine
PubChem CID118632947
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine
SMILESCC(C)(C)c1ccc(CN2CC[C@H](F)C2)nc1
InChIInChI=1S/C14H21FN2/c1-14(2,3)11-4-5-13(16-8-11)10-17-7-6-12(15)9-17/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m0/s1
InChIKeyVTDLZHGIUIIAEF-LBPRGKRZSA-N
XLogP2.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine (CID 118632947) is 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine is CC(C)(C)c1ccc(CN2CC[C@H](F)C2)nc1.
What is the InChIKey of 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine?
The InChIKey is VTDLZHGIUIIAEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(2,3)11-4-5-13(16-8-11)10-17-7-6-12(15)9-17/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine?
5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine has a molecular weight of 236.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 118632947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).