| CAS Number | 6042-35-9 |
| Catalog Number | AG00EG79(AGN-PC-0WNRUI) |
| Chemical Name | 2-iodopyridine-3-carboxylic acid |
| IUPAC Name | 2-iodopyridine-3-carboxylic acid |
| InChI | InChI=1S/C6H4INO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10) |
| InChI Key | KEYRTRGLKSAGJN-UHFFFAOYSA-N |
| MDL Number | MFCD16556300 |
| Molecular Formula | C6H4INO2 |
| Molecular Weight | 249.0059 |
| SMILES | O=C(O)C1=C(I)N=CC=C1 |
| Synonyms | 2-Iodonicotinic acid,
6042-35-9,
2-Iodopyridine-3-carboxylic acid,
2-Iodo-nicotinic acid,
iodonicotinic acid,
2-Iodo nicotinic acid,
SCHEMBL2902900,
DTXSID20501640,
3-Pyridinecarboxylic acid, 2-iodo-,
1745AJ,
ZINC39243629,
AKOS024261998,
AJ-99327,
DB-083323,
FT-0720374,
Z-5990,
Z2335632238,
C6H4INO2,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.007g/mol |
| Monoisotopic Mass | 248.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number