Home Halogens 8-bromo-5H,6H-pyrido[4,3-d]pyrimidin-5-one

8-bromo-5H,6H-pyrido[4,3-d]pyrimidin-5-one

CAS No.:
1379345-98-8
Catalog Number:
AG01AG3M
Molecular Formula:
C7H4BrN3O
Molecular Weight:
226.0302
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Product Description
Catalog Number:
AG01AG3M
Chemical Name:
8-bromo-5H,6H-pyrido[4,3-d]pyrimidin-5-one
CAS Number:
1379345-98-8
Molecular Formula:
C7H4BrN3O
Molecular Weight:
226.0302
MDL Number:
MFCD18916752
IUPAC Name:
8-bromo-6H-pyrido[4,3-d]pyrimidin-5-one
InChI:
InChI=1S/C7H4BrN3O/c8-5-2-10-7(12)4-1-9-3-11-6(4)5/h1-3H,(H,10,12)
InChI Key:
CUJNMOCHMSXKKC-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c(=O)c2c1ncnc2
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.954g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.033g/mol
Monoisotopic Mass:
224.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties