5-pyridin-3-ylpent-4-yn-1-ol

C10H11NO — CID 10797061

IUPAC5-pyridin-3-ylpent-4-yn-1-ol
SMILESOCCCC#Cc1cccnc1
InChIInChI=1S/C10H11NO/c12-8-3-1-2-5-10-6-4-7-11-9-10/h4,6-7,9,12H,1,3,8H2
InChIKeyIAIJILHHXLMWDF-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.21
Rot. Bonds2

About 5-pyridin-3-ylpent-4-yn-1-ol

5-pyridin-3-ylpent-4-yn-1-ol (PubChem CID 10797061) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-pyridin-3-ylpent-4-yn-1-ol.

Molecular Properties

Compound Name5-pyridin-3-ylpent-4-yn-1-ol
PubChem CID10797061
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-pyridin-3-ylpent-4-yn-1-ol
SMILESOCCCC#Cc1cccnc1
InChIInChI=1S/C10H11NO/c12-8-3-1-2-5-10-6-4-7-11-9-10/h4,6-7,9,12H,1,3,8H2
InChIKeyIAIJILHHXLMWDF-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-pyridin-3-yldodec-11-yn-2-ol
CID 11207673
4-[3-(pyridin-3-ylmethoxy)phenyl]but-3-yn-1-ol
CID 60801476
5-(3-methoxyphenyl)pent-4-yn-1-ol
CID 112554273
2-pyridin-3-ylethynylboronic acid
CID 57416299
3-pyridin-3-ylprop-2-ynoic acid;hydrochloride
CID 119081448
5-(3-chloro-2-pyridinyl)pent-4-yn-1-ol
CID 124707514
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
benzyl N-(4-pyridin-3-ylbut-3-ynyl)carbamate
CID 170461928
N-methyl-N-propyl-3-pyridin-3-ylprop-2-yn-1-amine
CID 10631478
5-[3-(5-hydroxypentyl)phenyl]pentan-1-ol;5-[3-(5-hydroxypent-1-ynyl)phenyl]pent-4-yn-1-ol
CID 160707879
4-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]but-3-yn-1-ol
CID 81325820
5-(4-tert-butylphenyl)pent-4-yn-1-ol
CID 22320751

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylpent-4-yn-1-ol?
The IUPAC name of 5-pyridin-3-ylpent-4-yn-1-ol (CID 10797061) is 5-pyridin-3-ylpent-4-yn-1-ol.
What is the SMILES notation for 5-pyridin-3-ylpent-4-yn-1-ol?
The canonical SMILES for 5-pyridin-3-ylpent-4-yn-1-ol is OCCCC#Cc1cccnc1.
What is the InChIKey of 5-pyridin-3-ylpent-4-yn-1-ol?
The InChIKey is IAIJILHHXLMWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-8-3-1-2-5-10-6-4-7-11-9-10/h4,6-7,9,12H,1,3,8H2.
What are the key properties of 5-pyridin-3-ylpent-4-yn-1-ol?
5-pyridin-3-ylpent-4-yn-1-ol has a molecular weight of 161.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylpent-4-yn-1-ol is sourced from PubChem (CID 10797061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).