| CAS Number | 108129-25-5 |
| Catalog Number | AG0091J3(AGN-PC-0OY2ME) |
| Chemical Name | 2-(Hydroxymethyl)-6-methylisonicotinonitrile |
| IUPAC Name | 2-(hydroxymethyl)-6-methylpyridine-4-carbonitrile |
| InChI | InChI=1S/C8H8N2O/c1-6-2-7(4-9)3-8(5-11)10-6/h2-3,11H,5H2,1H3 |
| InChI Key | PBTBKEWEKAICOK-UHFFFAOYSA-N |
| MDL Number | MFCD18384585 |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.1619 |
| SMILES | CC1=CC(=CC(CO)=N1)C#N |
| Synonyms | 2-(hydroxymethyl)-6-methylisonicotinonitrile,
108129-25-5,
2-(hydroxymethyl)-6-methylpyridine-4-carbonitrile,
SCHEMBL1425100,
DTXSID00591362,
PBTBKEWEKAICOK-UHFFFAOYSA-N,
4-Pyridinecarbonitrile, 2-(hydroxymethyl)-6-methyl- (9CI),
MFCD18384585,
ZINC39051940,
FCH1144117,
AS-47034,
2-hydroxymethyl-6-methyl-isonicotinonitrile,
4-Cyano-2-(hydroxymethyl)-6-methylpyridine,
4-Pyridinecarbonitrile, 2-(hydroxymethyl)-6-methyl-,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.165g/mol |
| Monoisotopic Mass | 148.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number