| CAS Number | 163452-73-1 |
| Catalog Number | AG01DKD7 |
| Chemical Name | 7-Bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one |
| IUPAC Name | 7-bromo-1-methyl-5H-imidazo[4,5-c]pyridin-4-one |
| InChI | InChI=1S/C7H6BrN3O/c1-11-3-10-5-6(11)4(8)2-9-7(5)12/h2-3H,1H3,(H,9,12) |
| InChI Key | RXERNKSTSSWUPU-UHFFFAOYSA-N |
| MDL Number | MFCD00182363 |
| Molecular Formula | C7H6BrN3O |
| Molecular Weight | 228.0460 |
| SMILES | BrC=1C2=C(C(NC1)=O)N=CN2C |
| Synonyms | 7-Bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one,
163452-73-1,
AC1LJ21L,
Oprea1_026582,
SCHEMBL16475143,
SCHEMBL18787933,
ZINC501199,
MFCD00182363,
AKOS027329523,
7-bromo-1-methyl-5H-imidazo[4,5-c]pyridin-4-one,
CID915511,
ZINC00501199,
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| Complexity | 253 |
| 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 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.049g/mol |
| Monoisotopic Mass | 226.969g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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