3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C16H21FN2O — CID 59330545

IUPAC3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESFCCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C16H21FN2O/c17-8-4-2-1-3-6-14-10-16(12-18-11-14)20-13-15-7-5-9-19-15/h10-12,15,19H,1-2,4-5,7-9,13H2/t15-/m0/s1
InChIKeyJLNZIHVXZLIMGU-HNNXBMFYSA-N
MW276.35 g/mol
LogP2.70
Rot. Bonds6

About 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 59330545) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID59330545
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESFCCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C16H21FN2O/c17-8-4-2-1-3-6-14-10-16(12-18-11-14)20-13-15-7-5-9-19-15/h10-12,15,19H,1-2,4-5,7-9,13H2/t15-/m0/s1
InChIKeyJLNZIHVXZLIMGU-HNNXBMFYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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Ispronicline
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6-(5-(((S)-azetidin-2-yl)methoxy)pyridine-3-yl)hex-5-yn-1-ol
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A-85380
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CID 10241442
TC-2559
CID 9823180
2-Fluoro-3-(2S-azetidinylmethoxy)pyridine, F-18
CID 450860
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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 59330545) is 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is FCCCCC#Cc1cncc(OC[C@@H]2CCCN2)c1.
What is the InChIKey of 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is JLNZIHVXZLIMGU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-8-4-2-1-3-6-14-10-16(12-18-11-14)20-13-15-7-5-9-19-15/h10-12,15,19H,1-2,4-5,7-9,13H2/t15-/m0/s1.
What are the key properties of 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 276.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 59330545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).