[6-(2-cyclopropylethynyl)-2-pyridinyl]methanol

C11H11NO — CID 167506257

IUPAC[6-(2-cyclopropylethynyl)-2-pyridinyl]methanol
SMILESOCc1cccc(C#CC2CC2)n1
InChIInChI=1S/C11H11NO/c13-8-11-3-1-2-10(12-11)7-6-9-4-5-9/h1-3,9,13H,4-5,8H2
InChIKeyODXNLIFNSGLDTH-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.34
Rot. Bonds1

About [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol

[6-(2-cyclopropylethynyl)-2-pyridinyl]methanol (PubChem CID 167506257) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-cyclopropylethynyl)-2-pyridinyl]methanol
PubChem CID167506257
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name[6-(2-cyclopropylethynyl)-2-pyridinyl]methanol
SMILESOCc1cccc(C#CC2CC2)n1
InChIInChI=1S/C11H11NO/c13-8-11-3-1-2-10(12-11)7-6-9-4-5-9/h1-3,9,13H,4-5,8H2
InChIKeyODXNLIFNSGLDTH-UHFFFAOYSA-N
XLogP1.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol?
The IUPAC name of [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol (CID 167506257) is [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol is OCc1cccc(C#CC2CC2)n1.
What is the InChIKey of [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol?
The InChIKey is ODXNLIFNSGLDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-8-11-3-1-2-10(12-11)7-6-9-4-5-9/h1-3,9,13H,4-5,8H2.
What are the key properties of [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol?
[6-(2-cyclopropylethynyl)-2-pyridinyl]methanol has a molecular weight of 173.22 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-cyclopropylethynyl)-2-pyridinyl]methanol is sourced from PubChem (CID 167506257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).