4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol

C9H8FNO — CID 122242539

IUPAC4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(F)cn1
InChIInChI=1S/C9H8FNO/c1-7(12)2-4-9-5-3-8(10)6-11-9/h3,5-7,12H,1H3
InChIKeyNUVDNUUMIIVIRO-UHFFFAOYSA-N
MW165.17 g/mol
LogP0.95
Rot. Bonds

About 4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol

4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol (PubChem CID 122242539) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol
PubChem CID122242539
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(F)cn1
InChIInChI=1S/C9H8FNO/c1-7(12)2-4-9-5-3-8(10)6-11-9/h3,5-7,12H,1H3
InChIKeyNUVDNUUMIIVIRO-UHFFFAOYSA-N
XLogP0.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.95
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-(5-fluoro-2-pyridinyl)but-3-yn-2-ol?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol (CID 122242539) is 4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol is CC(O)C#Cc1ccc(F)cn1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol?
The InChIKey is NUVDNUUMIIVIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-7(12)2-4-9-5-3-8(10)6-11-9/h3,5-7,12H,1H3.
What are the key properties of 4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol?
4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol has a molecular weight of 165.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)but-3-yn-2-ol is sourced from PubChem (CID 122242539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).