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

C15H19FN2O — CID 59330540

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine
SMILESFCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C15H19FN2O/c16-7-4-2-1-3-5-13-9-15(11-17-10-13)19-12-14-6-8-18-14/h9-11,14,18H,1-2,4,6-8,12H2/t14-/m0/s1
InChIKeyRBSGWIKVAOFYGJ-AWEZNQCLSA-N
MW262.33 g/mol
LogP2.31
Rot. Bonds6

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine (PubChem CID 59330540) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine
PubChem CID59330540
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine
SMILESFCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C15H19FN2O/c16-7-4-2-1-3-5-13-9-15(11-17-10-13)19-12-14-6-8-18-14/h9-11,14,18H,1-2,4,6-8,12H2/t14-/m0/s1
InChIKeyRBSGWIKVAOFYGJ-AWEZNQCLSA-N
XLogP2.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine (CID 59330540) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine is FCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine?
The InChIKey is RBSGWIKVAOFYGJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-7-4-2-1-3-5-13-9-15(11-17-10-13)19-12-14-6-8-18-14/h9-11,14,18H,1-2,4,6-8,12H2/t14-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine has a molecular weight of 262.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine is sourced from PubChem (CID 59330540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).