Cas no 954227-09-9 (2-pyridin-4-ylpyrimidine-5-carbaldehyde)

2-pyridin-4-ylpyrimidine-5-carbaldehyde structure
954227-09-9 structure
Product Name:2-pyridin-4-ylpyrimidine-5-carbaldehyde
CAS No:954227-09-9
MF:C10H7N3O
MW:185.182081460953
CID:1987637
PubChem ID:24903639
Update Time:2025-04-21

2-pyridin-4-ylpyrimidine-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-pyridin-4-ylpyrimidine-5-carbaldehyde
    • AKOS000284227
    • 2-(pyridin-4-yl)pyrimidine-5-carbaldehyde
    • 954227-09-9
    • Inchi: 1S/C10H7N3O/c14-7-8-5-12-10(13-6-8)9-1-3-11-4-2-9/h1-7H
    • InChI Key: LOCLWSWALAFYHN-UHFFFAOYSA-N
    • SMILES: O=CC1C=NC(C2C=CN=CC=2)=NC=1

Computed Properties

  • Exact Mass: 185.05900
  • Monoisotopic Mass: 185.058911855Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 184
  • 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: 55.7?2

Experimental Properties

  • PSA: 55.74000
  • LogP: 1.35110
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