| CAS Number | 1240595-43-0 |
| Catalog Number | AG000LH7(AGN-PC-0WAN81) |
| Chemical Name | 3-Pyridinecarboxylic acid, 4-amino-5-bromo-, ethyl ester |
| IUPAC Name | ethyl 4-amino-5-bromopyridine-3-carboxylate |
| InChI | InChI=1S/C8H9BrN2O2/c1-2-13-8(12)5-3-11-4-6(9)7(5)10/h3-4H,2H2,1H3,(H2,10,11) |
| InChI Key | VQEYTALZZLPCBP-UHFFFAOYSA-N |
| MDL Number | MFCD16988618 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | O=C(OCC)C1=CN=CC(Br)=C1N |
| Synonyms | Ethyl 4-amino-5-bromonicotinate,
1240595-43-0,
AK143666,
Ethyl 4-amino-5-bromopyridine-3-carboxylate,
KS-00000RZS,
DTXSID80858662,
MFCD16988618,
ZINC95929580,
AKOS022176605,
DS-7704,
FCH1349213,
SC-83167,
AJ-135565,
AX8282908,
3-Pyridinecarboxylic acid, 4-amino-5-bromo-, ethyl ester,
Methyl 4-amino-5-bromonicotinate,
|
| Complexity | 189 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H332-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P280-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number