1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol

C12H13NO — CID 141392805

IUPAC1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol
SMILESOC1(C#Cc2ccccn2)CCCC1
InChIInChI=1S/C12H13NO/c14-12(7-2-3-8-12)9-6-11-5-1-4-10-13-11/h1,4-5,10,14H,2-3,7-8H2
InChIKeyCTLOLXNTZHNAQI-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.74
Rot. Bonds

About 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol

1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol (PubChem CID 141392805) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol
PubChem CID141392805
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol
SMILESOC1(C#Cc2ccccn2)CCCC1
InChIInChI=1S/C12H13NO/c14-12(7-2-3-8-12)9-6-11-5-1-4-10-13-11/h1,4-5,10,14H,2-3,7-8H2
InChIKeyCTLOLXNTZHNAQI-UHFFFAOYSA-N
XLogP1.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.74
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

4-(2-pyridin-2-ylethynyl)piperidin-4-ol;hydrochloride
CID 162372026
6-[2-(1-hydroxycyclohexyl)ethynyl]pyridine-3-carboxylic acid
CID 169245761
tert-butyl 3-hydroxy-3-(2-pyridin-2-ylethynyl)azetidine-1-carboxylate
CID 90344395
3-fluoro-3-(2-pyridin-2-ylethynyl)pyrrolidine-1-carboxylic acid
CID 90344373
1-(3-pyridin-2-ylprop-1-ynyl)cyclopropan-1-ol
CID 164660804
1-(2-pyridin-3-ylethynyl)cyclobutan-1-ol
CID 125478076
1-(2-naphthalen-2-ylethynyl)cyclohexan-1-ol
CID 24795543
1-(2-thiophen-2-ylethynyl)cyclopentan-1-ol
CID 130055841
1-(4-methyl-3-pyridinyl)-3-[1-(2-pyridin-2-ylethynyl)cyclopropyl]urea
CID 154705880
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
[3-[2-[2-[1-(2-pyridin-2-ylethynyl)cyclohexyl]-4-pyridinyl]ethyl]-4-pyridinyl]methanol
CID 154703888
2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine
CID 15131255

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol?
The IUPAC name of 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol (CID 141392805) is 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol?
The canonical SMILES for 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol is OC1(C#Cc2ccccn2)CCCC1.
What is the InChIKey of 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol?
The InChIKey is CTLOLXNTZHNAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12(7-2-3-8-12)9-6-11-5-1-4-10-13-11/h1,4-5,10,14H,2-3,7-8H2.
What are the key properties of 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol?
1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol has a molecular weight of 187.24 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol is sourced from PubChem (CID 141392805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).