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

C10H10FNO — CID 122242546

IUPAC4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol
SMILESCc1cc(F)cnc1C#CC(C)O
InChIInChI=1S/C10H10FNO/c1-7-5-9(11)6-12-10(7)4-3-8(2)13/h5-6,8,13H,1-2H3
InChIKeyVNVIIDKJDKKEIO-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.26
Rot. Bonds

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

4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol (PubChem CID 122242546) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol.

Molecular Properties

Compound Name4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol
PubChem CID122242546
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol
SMILESCc1cc(F)cnc1C#CC(C)O
InChIInChI=1S/C10H10FNO/c1-7-5-9(11)6-12-10(7)4-3-8(2)13/h5-6,8,13H,1-2H3
InChIKeyVNVIIDKJDKKEIO-UHFFFAOYSA-N
XLogP1.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.26
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-3-methyl-2-pyridinyl)but-3-yn-2-ol?
The IUPAC name of 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol (CID 122242546) is 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol.
What is the SMILES notation for 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol?
The canonical SMILES for 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol is Cc1cc(F)cnc1C#CC(C)O.
What is the InChIKey of 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol?
The InChIKey is VNVIIDKJDKKEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7-5-9(11)6-12-10(7)4-3-8(2)13/h5-6,8,13H,1-2H3.
What are the key properties of 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol?
4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol has a molecular weight of 179.19 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-yn-2-ol is sourced from PubChem (CID 122242546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).