3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol

C15H12FNO2 — CID 65202970

IUPAC3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OCc2cccnc2)cc1F
InChIInChI=1S/C15H12FNO2/c16-15-9-14(6-5-13(15)4-2-8-18)19-11-12-3-1-7-17-10-12/h1,3,5-7,9-10,18H,8,11H2
InChIKeyDYXWRXMHMDPSBT-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.14
Rot. Bonds3

About 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol

3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 65202970) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
PubChem CID65202970
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(OCc2cccnc2)cc1F
InChIInChI=1S/C15H12FNO2/c16-15-9-14(6-5-13(15)4-2-8-18)19-11-12-3-1-7-17-10-12/h1,3,5-7,9-10,18H,8,11H2
InChIKeyDYXWRXMHMDPSBT-UHFFFAOYSA-N
XLogP2.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 82914917
3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 60800603
3-[2-fluoro-4-(1,2-oxazol-4-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202756
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
3-[4-[(2,3-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 65202921
3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine
CID 22010197
3-[2-fluoro-4-(2-fluoroethoxy)phenyl]prop-2-yn-1-ol
CID 80695113
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-[3-(pyridin-3-ylmethoxy)phenyl]but-3-yn-1-ol
CID 60801476
3-[2-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 114348433
4-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]but-3-yn-1-ol
CID 81325820
3-[4-(ethoxymethoxy)-2-fluorophenyl]prop-2-yn-1-ol
CID 65369091

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol (CID 65202970) is 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(OCc2cccnc2)cc1F.
What is the InChIKey of 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is DYXWRXMHMDPSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-15-9-14(6-5-13(15)4-2-8-18)19-11-12-3-1-7-17-10-12/h1,3,5-7,9-10,18H,8,11H2.
What are the key properties of 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol?
3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol has a molecular weight of 257.26 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 65202970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).