| CAS Number | 1150561-83-3 |
| Catalog Number | AG000FSI(AGN-PC-0WAEHO) |
| Chemical Name | N-Butyl 5-bromonicotinamide |
| IUPAC Name | 5-bromo-N-butylpyridine-3-carboxamide |
| InChI | InChI=1S/C10H13BrN2O/c1-2-3-4-13-10(14)8-5-9(11)7-12-6-8/h5-7H,2-4H2,1H3,(H,13,14) |
| InChI Key | JYLRBVKAUPICND-UHFFFAOYSA-N |
| MDL Number | MFCD12026109 |
| Molecular Formula | C10H13BrN2O |
| Molecular Weight | 257.1270 |
| SMILES | CCCCNC(=O)c1cncc(c1)Br |
| Synonyms | N-BUTYL 5-BROMONICOTINAMIDE,
1150561-83-3,
N-Butyl5-bromonicotinamide,
ACMC-2099pb,
CTK4A9157,
DTXSID30675104,
ANW-16845,
MFCD12026109,
ZINC38537612,
5-bromo-N-butylpyridine-3-carboxamide,
AKOS008921284,
RTR-002906,
3-Pyridinecarboxamide, 5-bromo-N-butyl-,
TR-002906,
Z7670,
A-5186,
I14-24827,
C10H13BrN2O,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.131g/mol |
| Monoisotopic Mass | 256.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number