2-Acetyl-6-(3-hydroxy-2-propynyl)pyridine

HCID 19082010

Notes Reactions

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Basic information

Standard SMILES: CC(=O)c1cccc(CC#CO)n1
InChIKey: BSICFYNSUDJROO-UHFFFAOYSA-N
Molecular formula: C10H9NO2
Average molar mass: 175.18 g/mol
Monoisotopic mass: 175.06332853

Names & identifiers

Preferred name: 2-Acetyl-6-(3-hydroxy-2-propynyl)pyridine
IUPAC: 1-[6-(3-hydroxyprop-2-ynyl)-2-pyridinyl]ethanone

Names & synonyms

SCHEMBL8663793BSICFYNSUDJROO-UHFFFAOYSA-N2-acetyl-6-(3-hydroxy-2-propynyl)pyridine

Database identifiers

PubChem CID: 19082010

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 248

Related reactions

7 records

New reaction record

HRID 53209As productuspto-grants-1997_04

HRID 53210As reactantuspto-grants-1997_04

HRID 689040As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 691403As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 963315As productuspto-grants-1998_06

HRID 963316As reactantuspto-grants-1998_06

HRID 1238896As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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