| CAS Number | 334504-46-0 |
| Catalog Number | AG00CM5J(AGN-PC-0WNRB5) |
| Chemical Name | 5-bromo-N-(2-hydroxyethyl)nicotinamide |
| IUPAC Name | 5-bromo-N-(2-hydroxyethyl)pyridine-3-carboxamide |
| InChI | InChI=1S/C8H9BrN2O2/c9-7-3-6(4-10-5-7)8(13)11-1-2-12/h3-5,12H,1-2H2,(H,11,13) |
| InChI Key | WHYSCMPVVARFIX-UHFFFAOYSA-N |
| MDL Number | MFCD00461293 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | OCCNC(C1=CC(Br)=CN=C1)=O |
| Synonyms | 5-bromo-N-(2-hydroxyethyl)nicotinamide,
334504-46-0,
5-bromo-N-(2-hydroxyethyl)pyridine-3-carboxamide,
Oprea1_523093,
SCHEMBL15228268,
DTXSID00635871,
WHYSCMPVVARFIX-UHFFFAOYSA-N,
ZINC3164435,
MFCD00461293,
AKOS007997424,
MCULE-6591874082,
NE34329,
RL03223,
AJ-44660,
AS-48202,
EN300-80564,
J-517173,
Z31725404,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number