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Home> Encyclopedia > Hot Product Listed M   > MCULE-6766415679
618383-42-9 structure

MCULE-6766415679

Iupac Name:[1-(2-fluorophenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol
CAS No.:618383-42-9
Molecular Weight:269.279
Molecular Formula:C15H12FN3O (isomer)
Names and Identifiers
Synonyms

(1-(2-fluorophenyl)-3-(pyridin-3-yl)-1h-pyrazol-4-yl)methanol [1-(2-fluorophenyl)-3-(3-pyridinyl)-1h-pyrazol-4-yl]methanol [1-(2-fluorophenyl)-3-(pyridin-3-yl)pyrazol-4-yl]methanol [1-(2-fluorophenyl)-3-pyridin-3-ylpyrazol-4-yl]methanol AC1MPZKD AK220441 AKOS024412303 ZINC2541936

Inchi
InChI=1S/C15H12FN3O/c16-13-5-1-2-6-14(13)19-9-12(10-20)15(18-19)11-4-3-7-17-8-11/h1-9,20H,10H2
InChkey
JXDZLUGACDBSIY-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)N2C=C(C(=N2)C3=CN=CC=C3)CO)F
Computational chemical data
  • Molecular Weight:269.279g/mol
  • Molecular Formula:C15H12FN3O
  • Compound Is Canonicalized:True
  • Exact Mass:269.096
  • Monoisotopic Mass:269.096
  • Complexity:318
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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