4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol

C9H8FNO — CID 11805111

IUPAC4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol
SMILESOCCC#Cc1cccnc1F
InChIInChI=1S/C9H8FNO/c10-9-8(4-1-2-7-12)5-3-6-11-9/h3,5-6,12H,2,7H2
InChIKeyQQJLIUFUQNJBPU-UHFFFAOYSA-N
MW165.17 g/mol
LogP0.95
Rot. Bonds1

About 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol

4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol (PubChem CID 11805111) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol
PubChem CID11805111
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol
SMILESOCCC#Cc1cccnc1F
InChIInChI=1S/C9H8FNO/c10-9-8(4-1-2-7-12)5-3-6-11-9/h3,5-6,12H,2,7H2
InChIKeyQQJLIUFUQNJBPU-UHFFFAOYSA-N
XLogP0.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromoprop-1-ynyl)-2-fluoropyridine
CID 146626830
2-(4-hydroxybut-1-ynyl)pyridine-3-carbonitrile
CID 122242395
ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane
CID 90942554
2-fluoropyridine-3-carbonitrile
CID 2783254
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107522845
3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 107523143
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
ethyl 2-[[3-(4-hydroxybut-1-ynyl)pyridine-2-carbonyl]-methylamino]acetate
CID 107521797
3-(4-bromobut-1-ynyl)-2-chloropyridine
CID 170465544
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol (CID 11805111) is 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol is OCCC#Cc1cccnc1F.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol?
The InChIKey is QQJLIUFUQNJBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-9-8(4-1-2-7-12)5-3-6-11-9/h3,5-6,12H,2,7H2.
What are the key properties of 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol?
4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol has a molecular weight of 165.17 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-pyridinyl)but-3-yn-1-ol is sourced from PubChem (CID 11805111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).