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

C16H21FN2O — CID 71584798

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine
SMILESCc1ncc(C#CCCCCF)cc1OC[C@@H]1CCN1
InChIInChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
InChIKeyJFPXLNSBLNDHFH-HNNXBMFYSA-N
MW276.35 g/mol
LogP2.62
Rot. Bonds6

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine (PubChem CID 71584798) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine
PubChem CID71584798
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine
SMILESCc1ncc(C#CCCCCF)cc1OC[C@@H]1CCN1
InChIInChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
InChIKeyJFPXLNSBLNDHFH-HNNXBMFYSA-N
XLogP2.62
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 ≤ 52.62
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'}

Analyze 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine (CID 71584798) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine is Cc1ncc(C#CCCCCF)cc1OC[C@@H]1CCN1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine?
The InChIKey is JFPXLNSBLNDHFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)-2-methylpyridine has a molecular weight of 276.35 g/mol, XLogP of 2.62, 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)-2-methylpyridine is sourced from PubChem (CID 71584798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).