| CAS Number | 1256824-14-2 |
| Catalog Number | AG01C3Y4 |
| Chemical Name | 4-Chloro-5-cyanopyridine-2-carboxylic acid |
| IUPAC Name | 4-chloro-5-cyanopyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H3ClN2O2/c8-5-1-6(7(11)12)10-3-4(5)2-9/h1,3H,(H,11,12) |
| InChI Key | JFRJZZVHMRNMNN-UHFFFAOYSA-N |
| MDL Number | MFCD18260041 |
| Molecular Formula | C7H3ClN2O2 |
| Molecular Weight | 182.5639 |
| SMILES | OC(C1=NC=C(C#N)C(Cl)=C1)=O |
| Synonyms | 4-Chloro-5-cyanopicolinic acid,
1256824-14-2,
4-chloro-5-cyanopyridine-2-carboxylic acid,
SCHEMBL20568366,
ZINC238642128,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.563g/mol |
| Monoisotopic Mass | 181.988g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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