4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol

C10H10FNO — CID 66598264

IUPAC4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol
SMILESOCCC#Cc1cccc(CF)n1
InChIInChI=1S/C10H10FNO/c11-8-10-6-3-5-9(12-10)4-1-2-7-13/h3,5-6,13H,2,7-8H2
InChIKeyOZOQGCGOGQRDCT-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.28
Rot. Bonds2

About 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol

4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol (PubChem CID 66598264) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol
PubChem CID66598264
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol
SMILESOCCC#Cc1cccc(CF)n1
InChIInChI=1S/C10H10FNO/c11-8-10-6-3-5-9(12-10)4-1-2-7-13/h3,5-6,13H,2,7-8H2
InChIKeyOZOQGCGOGQRDCT-UHFFFAOYSA-N
XLogP1.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol?
The IUPAC name of 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol (CID 66598264) is 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol?
The canonical SMILES for 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol is OCCC#Cc1cccc(CF)n1.
What is the InChIKey of 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol?
The InChIKey is OZOQGCGOGQRDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-8-10-6-3-5-9(12-10)4-1-2-7-13/h3,5-6,13H,2,7-8H2.
What are the key properties of 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol?
4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol has a molecular weight of 179.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(fluoromethyl)-2-pyridinyl]but-3-yn-1-ol is sourced from PubChem (CID 66598264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).