Home Halogens 7-bromo-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one

7-bromo-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one

CAS No.:
709652-84-6
Catalog Number:
AG01A561
Molecular Formula:
C7H6BrN3O
Molecular Weight:
228.0460
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Product Description
Catalog Number:
AG01A561
Chemical Name:
7-bromo-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CAS Number:
709652-84-6
Molecular Formula:
C7H6BrN3O
Molecular Weight:
228.0460
MDL Number:
MFCD08062978
IUPAC Name:
7-bromo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
InChI:
InChI=1S/C7H6BrN3O/c8-4-1-5-7(9-2-4)10-3-6(12)11-5/h1-2H,3H2,(H,9,10)(H,11,12)
InChI Key:
YUBCVDJYDUKAAJ-UHFFFAOYSA-N
SMILES:
Brc1cc2NC(=O)CNc2nc1
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.969g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.049g/mol
Monoisotopic Mass:
226.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties