3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine

C17H14F2N2O — CID 71569959

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine
SMILESFc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1
InChIInChI=1S/C17H14F2N2O/c18-14-5-12(6-15(19)8-14)1-2-13-7-17(10-20-9-13)22-11-16-3-4-21-16/h5-10,16,21H,3-4,11H2/t16-/m0/s1
InChIKeyVEPRZVRBPWNJOZ-INIZCTEOSA-N
MW300.31 g/mol
LogP2.50
Rot. Bonds3

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine (PubChem CID 71569959) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine
PubChem CID71569959
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine
SMILESFc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1
InChIInChI=1S/C17H14F2N2O/c18-14-5-12(6-15(19)8-14)1-2-13-7-17(10-20-9-13)22-11-16-3-4-21-16/h5-10,16,21H,3-4,11H2/t16-/m0/s1
InChIKeyVEPRZVRBPWNJOZ-INIZCTEOSA-N
XLogP2.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine 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-[2-(3,5-difluorophenyl)ethynyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine (CID 71569959) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine is Fc1cc(F)cc(C#Cc2cncc(OC[C@@H]3CCN3)c2)c1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine?
The InChIKey is VEPRZVRBPWNJOZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14F2N2O/c18-14-5-12(6-15(19)8-14)1-2-13-7-17(10-20-9-13)22-11-16-3-4-21-16/h5-10,16,21H,3-4,11H2/t16-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[2-(3,5-difluorophenyl)ethynyl]pyridine has a molecular weight of 300.31 g/mol, XLogP of 2.50, 3 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-[2-(3,5-difluorophenyl)ethynyl]pyridine is sourced from PubChem (CID 71569959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).