| CAS Number | 1700604-18-7 |
| Catalog Number | AG01E2P9(AGN-PC-0WBO18) |
| Chemical Name | 2-(Azidomethyl)pyridine-3-carboxylic acid |
| IUPAC Name | 2-(azidomethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H6N4O2/c8-11-10-4-6-5(7(12)13)2-1-3-9-6/h1-3H,4H2,(H,12,13) |
| InChI Key | RTDBCLUAIVGVLV-UHFFFAOYSA-N |
| MDL Number | MFCD29037824 |
| Molecular Formula | C7H6N4O2 |
| Molecular Weight | 178.1481 |
| SMILES | OC(C1=C(CN=[N+]=[N-])N=CC=C1)=O |
| Synonyms | 2-(azidomethyl)nicotinic acid,
1700604-18-7,
AKOS025312155,
ZINC253405090,
F9994-0315,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.151g/mol |
| Monoisotopic Mass | 178.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number