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

C10H11NO — CID 15085517

IUPAC1-pyridin-3-ylpent-4-yn-1-ol
SMILESC#CCCC(O)c1cccnc1
InChIInChI=1S/C10H11NO/c1-2-3-6-10(12)9-5-4-7-11-8-9/h1,4-5,7-8,10,12H,3,6H2
InChIKeyCCFIEXNGIPKGJO-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.53
Rot. Bonds3

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

1-pyridin-3-ylpent-4-yn-1-ol (PubChem CID 15085517) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-pyridin-3-ylpent-4-yn-1-ol.

Molecular Properties

Compound Name1-pyridin-3-ylpent-4-yn-1-ol
PubChem CID15085517
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-pyridin-3-ylpent-4-yn-1-ol
SMILESC#CCCC(O)c1cccnc1
InChIInChI=1S/C10H11NO/c1-2-3-6-10(12)9-5-4-7-11-8-9/h1,4-5,7-8,10,12H,3,6H2
InChIKeyCCFIEXNGIPKGJO-UHFFFAOYSA-N
XLogP1.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.53
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

(1S)-1-phenylpent-4-yn-1-ol
CID 174532036
4-methyl-1-pyridin-3-ylpent-4-en-1-ol
CID 114473785
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
3-(4-fluorophenyl)-1-pyridin-3-ylpropan-1-ol
CID 19775361
4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 65098166
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]carbamate
CID 164578067
3-(2-methoxyphenyl)-1-pyridin-3-ylpropan-1-ol
CID 82185446

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpent-4-yn-1-ol?
The IUPAC name of 1-pyridin-3-ylpent-4-yn-1-ol (CID 15085517) is 1-pyridin-3-ylpent-4-yn-1-ol.
What is the SMILES notation for 1-pyridin-3-ylpent-4-yn-1-ol?
The canonical SMILES for 1-pyridin-3-ylpent-4-yn-1-ol is C#CCCC(O)c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylpent-4-yn-1-ol?
The InChIKey is CCFIEXNGIPKGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-3-6-10(12)9-5-4-7-11-8-9/h1,4-5,7-8,10,12H,3,6H2.
What are the key properties of 1-pyridin-3-ylpent-4-yn-1-ol?
1-pyridin-3-ylpent-4-yn-1-ol has a molecular weight of 161.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpent-4-yn-1-ol is sourced from PubChem (CID 15085517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).