| CAS Number | 52982-90-8 |
| Catalog Number | AG00DJRP(AGN-PC-0WCKVL) |
| Chemical Name | 2-Amino-6-chloro-4-methyl-nicotinonitrile |
| EC Number | 610-926-2 |
| IUPAC Name | 2-amino-6-chloro-4-methylpyridine-3-carbonitrile |
| InChI | InChI=1S/C7H6ClN3/c1-4-2-6(8)11-7(10)5(4)3-9/h2H,1H3,(H2,10,11) |
| InChI Key | NWBGQBHPVHVALZ-UHFFFAOYSA-N |
| MDL Number | MFCD00967793 |
| Molecular Formula | C7H6ClN3 |
| Molecular Weight | 167.5956 |
| SMILES | NC1=C(C#N)C(=CC(=N1)Cl)C |
| Synonyms | 2-AMINO-6-CHLORO-4-METHYLNICOTINONITRILE,
52982-90-8,
2-amino-6-chloro-4-methylpyridine-3-carbonitrile,
AC1NP4MQ,
SCHEMBL11845115,
1534AJ,
MFCD00967793,
ZINC32600748,
PB12217,
AS-50417,
CS-0057486,
Q-2832,
3-Pyridinecarbonitrile, 2-amino-6-chloro-4-methyl-,
C7H6ClN3,
CID5149878,
2-amino-6-chloro-4-methyl-pyridine-3-carbonitrile,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.596g/mol |
| Monoisotopic Mass | 167.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number