3-pyridin-2-ylpent-1-yn-3-ol

C10H11NO — CID 168787890

IUPAC3-pyridin-2-ylpent-1-yn-3-ol
SMILESC#CC(O)(CC)c1ccccn1
InChIInChI=1S/C10H11NO/c1-3-10(12,4-2)9-7-5-6-8-11-9/h1,5-8,12H,4H2,2H3
InChIKeyFCUKXMXCFUWNAO-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.31
Rot. Bonds2

About 3-pyridin-2-ylpent-1-yn-3-ol

3-pyridin-2-ylpent-1-yn-3-ol (PubChem CID 168787890) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-pyridin-2-ylpent-1-yn-3-ol.

Molecular Properties

Compound Name3-pyridin-2-ylpent-1-yn-3-ol
PubChem CID168787890
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-pyridin-2-ylpent-1-yn-3-ol
SMILESC#CC(O)(CC)c1ccccn1
InChIInChI=1S/C10H11NO/c1-3-10(12,4-2)9-7-5-6-8-11-9/h1,5-8,12H,4H2,2H3
InChIKeyFCUKXMXCFUWNAO-UHFFFAOYSA-N
XLogP1.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.31
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

2-pyridin-2-ylbut-3-yn-2-ol
CID 16762502
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
5-methyl-3-pyridin-2-ylhexan-3-ol
CID 146396813
2-(1,1-difluoropropyl)pyridine
CID 59088790
3-pyridin-2-ylpent-1-en-3-ol
CID 146396934
3-ethyl-3-pyridin-2-ylpentan-1-amine
CID 83818225
CID 162723245
CID 162723245
6-pyridin-2-ylundecan-6-ol
CID 21415651
3-methyl-3-pyridin-2-ylpentan-1-ol
CID 144773779
dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylpent-1-yn-3-ol?
The IUPAC name of 3-pyridin-2-ylpent-1-yn-3-ol (CID 168787890) is 3-pyridin-2-ylpent-1-yn-3-ol.
What is the SMILES notation for 3-pyridin-2-ylpent-1-yn-3-ol?
The canonical SMILES for 3-pyridin-2-ylpent-1-yn-3-ol is C#CC(O)(CC)c1ccccn1.
What is the InChIKey of 3-pyridin-2-ylpent-1-yn-3-ol?
The InChIKey is FCUKXMXCFUWNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-10(12,4-2)9-7-5-6-8-11-9/h1,5-8,12H,4H2,2H3.
What are the key properties of 3-pyridin-2-ylpent-1-yn-3-ol?
3-pyridin-2-ylpent-1-yn-3-ol has a molecular weight of 161.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylpent-1-yn-3-ol is sourced from PubChem (CID 168787890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).