(5-ethynyl-2-pyridinyl)methanol

C8H7NO — CID 55274732

IUPAC(5-ethynyl-2-pyridinyl)methanol
SMILESC#Cc1ccc(CO)nc1
InChIInChI=1S/C8H7NO/c1-2-7-3-4-8(6-10)9-5-7/h1,3-5,10H,6H2
InChIKeyFIPXIXCYBODHTF-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.56
Rot. Bonds1

About (5-ethynyl-2-pyridinyl)methanol

(5-ethynyl-2-pyridinyl)methanol (PubChem CID 55274732) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is (5-ethynyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(5-ethynyl-2-pyridinyl)methanol
PubChem CID55274732
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name(5-ethynyl-2-pyridinyl)methanol
SMILESC#Cc1ccc(CO)nc1
InChIInChI=1S/C8H7NO/c1-2-7-3-4-8(6-10)9-5-7/h1,3-5,10H,6H2
InChIKeyFIPXIXCYBODHTF-UHFFFAOYSA-N
XLogP0.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.56
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 (5-ethynyl-2-pyridinyl)methanol?
The IUPAC name of (5-ethynyl-2-pyridinyl)methanol (CID 55274732) is (5-ethynyl-2-pyridinyl)methanol.
What is the SMILES notation for (5-ethynyl-2-pyridinyl)methanol?
The canonical SMILES for (5-ethynyl-2-pyridinyl)methanol is C#Cc1ccc(CO)nc1.
What is the InChIKey of (5-ethynyl-2-pyridinyl)methanol?
The InChIKey is FIPXIXCYBODHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-7-3-4-8(6-10)9-5-7/h1,3-5,10H,6H2.
What are the key properties of (5-ethynyl-2-pyridinyl)methanol?
(5-ethynyl-2-pyridinyl)methanol has a molecular weight of 133.15 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethynyl-2-pyridinyl)methanol is sourced from PubChem (CID 55274732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).