3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol

C15H12FNO2 — CID 60800603

IUPAC3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)ccc1OCc1cccnc1
InChIInChI=1S/C15H12FNO2/c16-14-5-6-15(13(9-14)4-2-8-18)19-11-12-3-1-7-17-10-12/h1,3,5-7,9-10,18H,8,11H2
InChIKeyJNNNDMKBCLBPNV-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.14
Rot. Bonds3

About 3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol

3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol (PubChem CID 60800603) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
PubChem CID60800603
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)ccc1OCc1cccnc1
InChIInChI=1S/C15H12FNO2/c16-14-5-6-15(13(9-14)4-2-8-18)19-11-12-3-1-7-17-10-12/h1,3,5-7,9-10,18H,8,11H2
InChIKeyJNNNDMKBCLBPNV-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'}

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Related Compounds

3-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 54923377
3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202970
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
CID 107885336
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
CID 62688853
4-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]but-3-yn-1-ol
CID 60799532
4-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 60801715
3-[5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 60801675
3-[5-methoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-amine
CID 104706976
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983455

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol (CID 60800603) is 3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol is OCC#Cc1cc(F)ccc1OCc1cccnc1.
What is the InChIKey of 3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol?
The InChIKey is JNNNDMKBCLBPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-14-5-6-15(13(9-14)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-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol?
3-[5-fluoro-2-(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-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 60800603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).