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Home> Encyclopedia > Hot Product Listed 7   > 7-bromo-2-methylpyrido[3,2-d]pyrimidin-4-ol
1228666-56-5 structure

7-bromo-2-methylpyrido[3,2-d]pyrimidin-4-ol

Iupac Name:7-bromo-2-methyl-1H-pyrido[3,2-d]pyrimidin-4-one
CAS No.:1228666-56-5
Molecular Weight:240.06
Molecular Formula:C8H6BrN3O (isomer)
Names and Identifiers
Synonyms

7-bromo-2-methylpyrido[3,2-d]pyrimidin-4(1h)-one 7-bromo-2-methylpyrido[3,2-d]pyrimidin-4-ol, aldrichcpr AC1Q2PDT ACMC-209AN0 AJ-115644 AK-92220 AKOS015835457 ANW-18058 AX8230387 B-6709 CTK5I8965 DA-18728 DTXSID00678389 fch1346399 FT-0738658 KB-249549 mfcd16628210 MOLPORT-015-157-057 ST2406548 TR-071233 Z8675 ZINC66054198

Inchi
InChI=1S/C8H6BrN3O/c1-4-11-6-2-5(9)3-10-7(6)8(13)12-4/h2-3H,1H3,(H,11,12,13)
InChkey
SUAHOXUNIGVBOJ-UHFFFAOYSA-N
Canonical Smiles
CC1=NC(=O)C2=NC=C(C=C2N1)Br
Safety and Handling
Hazard Codes
Xn
Risk Statements
22-36
Safety Statements
26
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:240.06g/mol
  • Molecular Formula:C8H6BrN3O
  • Compound Is Canonicalized:True
  • Exact Mass:238.969
  • Monoisotopic Mass:238.969
  • Complexity:266
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:54.4A^2
  • Heavy Atom Count:13
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBzIAAAEAAAAAAAAAAAAAAAAAAAAAAsQAAAAAAAAACBgAAAHgBQAAABqAjBlgQ/wJLIEACo ATd3dACCgCE3EiQB2CG4dPgIYPrA3bGUIYhgkADIy1cYCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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