| CAS Number | 1060805-97-1 |
| Catalog Number | AG008ZUI(AGN-PC-0WAKZ4) |
| Chemical Name | 3-Pyridinecarboxylic acid, 6-bromo-2-methyl- |
| IUPAC Name | 6-bromo-2-methylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6BrNO2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3H,1H3,(H,10,11) |
| InChI Key | QAZCHXJCZPUESJ-UHFFFAOYSA-N |
| MDL Number | MFCD13188658 |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.0320 |
| SMILES | C(=O)(O)c1c(C)nc(cc1)Br |
| Synonyms | 6-BROMO-2-METHYLNICOTINIC ACID,
1060805-97-1,
6-bromo-2-methylpyridine-3-carboxylic acid,
6-Bromo-2-methyl-nicotinic acid,
SCHEMBL12481418,
KS-00000PIV,
QAZCHXJCZPUESJ-UHFFFAOYSA-N,
MFCD13188658,
ZINC72223991,
AKOS022186176,
AB66864,
DS-7799,
AK144236,
SC-83331,
AJ-120729,
FT-0704979,
ST24045161,
Y3603,
Q-7613,
6-BROMO-2-METHYL-3-PYRIDINECARBOXYLIC ACID,
C7H6BrNO2,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.034g/mol |
| Monoisotopic Mass | 214.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number