Cas no 898561-63-2 (3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol)

3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol is a pyridine-based alkyne alcohol derivative with notable applications in pharmaceutical and organic synthesis. Its structure features a methoxy-substituted pyridine ring linked to a propargylic alcohol moiety, offering versatility as a building block for complex molecular frameworks. The compound’s alkyne group enables click chemistry applications, while the hydroxyl functionality allows for further derivatization. Its stability and reactivity make it valuable in medicinal chemistry for developing bioactive molecules. The methoxy group enhances solubility and modulates electronic properties, facilitating selective reactions. This compound is particularly useful in heterocyclic synthesis and as an intermediate in drug discovery.
3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol structure
898561-63-2 structure
Product Name:3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol
CAS No:898561-63-2
MF:C9H9NO2
MW:163.173262357712
MDL:MFCD08457778
CID:715110
PubChem ID:329771443
Update Time:2025-10-18

3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2-Propyn-1-ol,3-(5-methoxy-3-pyridinyl)-
    • 3-(5-METHOXY-PYRIDIN-3-YL)-PROP-2-YN-1-OL
    • 3-(5-methoxypyridin-3-yl)prop-2-yn-1-ol
    • 898561-63-2
    • YKB56163
    • MFCD08457778
    • AB45553
    • CS-0082291
    • 3-(5-Methoxypyridin-3-yl)-prop-2-yn-1-ol
    • AKOS013465888
    • DB-030139
    • SCHEMBL22031554
    • 3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol, AldrichCPR
    • D74449
    • DTXSID60640082
    • 3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol
    • MDL： MFCD08457778
    • Inchi： 1S/C9H9NO2/c1-12-9-5-8(3-2-4-11)6-10-7-9/h5-7,11H,4H2,1H3
    • InChI Key： FSRHMNFOVSQJHP-UHFFFAOYSA-N
    • SMILES： O(C)C1C=NC=C(C#CCO)C=1

Computed Properties

  • Exact Mass: 163.06300
  • Monoisotopic Mass: 163.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • Density: 1.2
  • Boiling Point: 324.7°C at 760 mmHg
  • Flash Point: 150.2°C
  • Refractive Index: 1.568
  • PSA: 42.35000
  • LogP: 0.43400

3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(5-Methoxy-pyridin-3-yl)-prop-2-yn-1-ol Pricemore >>

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