2-(6-ethynyl-2-pyridinyl)ethanol

C9H9NO — CID 74892564

IUPAC2-(6-ethynyl-2-pyridinyl)ethanol
SMILESC#Cc1cccc(CCO)n1
InChIInChI=1S/C9H9NO/c1-2-8-4-3-5-9(10-8)6-7-11/h1,3-5,11H,6-7H2
InChIKeyOBYPRGBDDFAGJG-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.60
Rot. Bonds2

About 2-(6-ethynyl-2-pyridinyl)ethanol

2-(6-ethynyl-2-pyridinyl)ethanol (PubChem CID 74892564) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(6-ethynyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(6-ethynyl-2-pyridinyl)ethanol
PubChem CID74892564
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-(6-ethynyl-2-pyridinyl)ethanol
SMILESC#Cc1cccc(CCO)n1
InChIInChI=1S/C9H9NO/c1-2-8-4-3-5-9(10-8)6-7-11/h1,3-5,11H,6-7H2
InChIKeyOBYPRGBDDFAGJG-UHFFFAOYSA-N
XLogP0.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.60
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 2-(6-ethynyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(6-ethynyl-2-pyridinyl)ethanol (CID 74892564) is 2-(6-ethynyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(6-ethynyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(6-ethynyl-2-pyridinyl)ethanol is C#Cc1cccc(CCO)n1.
What is the InChIKey of 2-(6-ethynyl-2-pyridinyl)ethanol?
The InChIKey is OBYPRGBDDFAGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-8-4-3-5-9(10-8)6-7-11/h1,3-5,11H,6-7H2.
What are the key properties of 2-(6-ethynyl-2-pyridinyl)ethanol?
2-(6-ethynyl-2-pyridinyl)ethanol has a molecular weight of 147.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethynyl-2-pyridinyl)ethanol is sourced from PubChem (CID 74892564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).