5-Bromo-2-chloro-N-methylpyridine-3-carboxamide - CAS 1189749-84-5
Catalog: |
BB074092 |
Product Name: |
5-Bromo-2-chloro-N-methylpyridine-3-carboxamide |
CAS: |
1189749-84-5 |
Synonyms: |
5-bromo-2-chloro-N-methylpyridine-3-carboxamide; 5-bromo-2-chloro-N-methylnicotinamide |
IUPAC Name: | 5-bromo-2-chloro-N-methylpyridine-3-carboxamide |
Molecular Weight: | 249.49 |
Molecular Formula: | C7H6N2OClBr |
Canonical SMILES: | CNC(=O)C1=C(N=CC(=C1)Br)Cl |
InChI: | InChI=1S/C7H6BrClN2O/c1-10-7(12)5-2-4(8)3-11-6(5)9/h2-3H,1H3,(H,10,12) |
InChI Key: | WOGSQAGPCLQVNO-UHFFFAOYSA-N |
References: | Banerjee, A., et al. Indian Pat. Appl., (2013). |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.9352 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.9352 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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