2-pyridin-2-ylbut-3-yn-2-ol

C9H9NO — CID 16762502

IUPAC2-pyridin-2-ylbut-3-yn-2-ol
SMILESC#CC(C)(O)c1ccccn1
InChIInChI=1S/C9H9NO/c1-3-9(2,11)8-6-4-5-7-10-8/h1,4-7,11H,2H3
InChIKeySNKQUAATTWNZCV-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.92
Rot. Bonds1

About 2-pyridin-2-ylbut-3-yn-2-ol

2-pyridin-2-ylbut-3-yn-2-ol (PubChem CID 16762502) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-pyridin-2-ylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-pyridin-2-ylbut-3-yn-2-ol
PubChem CID16762502
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-pyridin-2-ylbut-3-yn-2-ol
SMILESC#CC(C)(O)c1ccccn1
InChIInChI=1S/C9H9NO/c1-3-9(2,11)8-6-4-5-7-10-8/h1,4-7,11H,2H3
InChIKeySNKQUAATTWNZCV-UHFFFAOYSA-N
XLogP0.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-2-ylpent-1-yn-3-ol
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CID 162723245
CID 162723245
(2S)-4-(4-methoxyphenyl)-2-pyridin-2-ylbut-3-yn-2-ol
CID 102473225
(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
2-(3-methyl-2-pyridinyl)but-3-yn-2-ol
CID 86693091
2-tert-butylpyridine;ethane;methane
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dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
CID 142343342
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
3,6-bis(2-pyridin-2-ylpropan-2-yl)pyridazine
CID 143616932
2-(2-pyridin-2-ylpropan-2-yloxy)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylbut-3-yn-2-ol?
The IUPAC name of 2-pyridin-2-ylbut-3-yn-2-ol (CID 16762502) is 2-pyridin-2-ylbut-3-yn-2-ol.
What is the SMILES notation for 2-pyridin-2-ylbut-3-yn-2-ol?
The canonical SMILES for 2-pyridin-2-ylbut-3-yn-2-ol is C#CC(C)(O)c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylbut-3-yn-2-ol?
The InChIKey is SNKQUAATTWNZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-3-9(2,11)8-6-4-5-7-10-8/h1,4-7,11H,2H3.
What are the key properties of 2-pyridin-2-ylbut-3-yn-2-ol?
2-pyridin-2-ylbut-3-yn-2-ol has a molecular weight of 147.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylbut-3-yn-2-ol is sourced from PubChem (CID 16762502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).