3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol

C8H6FNO — CID 146626817

IUPAC3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol
SMILESOCC#Cc1cccc(F)n1
InChIInChI=1S/C8H6FNO/c9-8-5-1-3-7(10-8)4-2-6-11/h1,3,5,11H,6H2
InChIKeyIUEWHTOKVIAJSI-UHFFFAOYSA-N
MW151.14 g/mol
LogP0.56
Rot. Bonds

About 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol

3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol (PubChem CID 146626817) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol
PubChem CID146626817
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol
SMILESOCC#Cc1cccc(F)n1
InChIInChI=1S/C8H6FNO/c9-8-5-1-3-7(10-8)4-2-6-11/h1,3,5,11H,6H2
InChIKeyIUEWHTOKVIAJSI-UHFFFAOYSA-N
XLogP0.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(6-fluoro-2-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol?
The IUPAC name of 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol (CID 146626817) is 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol is OCC#Cc1cccc(F)n1.
What is the InChIKey of 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol?
The InChIKey is IUEWHTOKVIAJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c9-8-5-1-3-7(10-8)4-2-6-11/h1,3,5,11H,6H2.
What are the key properties of 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol?
3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol has a molecular weight of 151.14 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-pyridinyl)prop-2-yn-1-ol is sourced from PubChem (CID 146626817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).