| CAS Number | 1190198-18-5 |
| Catalog Number | AG00IUU4(AGN-PC-0WB0M1) |
| Chemical Name | 2-(Benzylamino)-5-iodonicotinic acid |
| IUPAC Name | 2-(benzylamino)-5-iodopyridine-3-carboxylic acid |
| InChI | InChI=1S/C13H11IN2O2/c14-10-6-11(13(17)18)12(16-8-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)(H,17,18) |
| InChI Key | RJBSKVHDPIZBGQ-UHFFFAOYSA-N |
| MDL Number | MFCD12922691 |
| Molecular Formula | C13H11IN2O2 |
| Molecular Weight | 354.1431 |
| SMILES | IC2(=CN=C(NCC1(=CC=CC=C1))C(=C2)C(=O)O) |
| Synonyms | 2-(benzylamino)-5-iodonicotinic acid,
1190198-18-5,
2-(benzylamino)-5-iodopyridine-3-carboxylic acid,
benzylaminoiodonicotinicacid,
CTK7C3572,
ZX-RL002919,
MFCD12922691,
ZINC40564606,
AKOS005073239,
FCH2809139,
KD-0044,
RP16919,
KS-000027B5,
OR303692,
AJ-103481,
TR-065589,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.147g/mol |
| Monoisotopic Mass | 353.987g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number