| CAS Number | 72587-17-8 |
| Catalog Number | AG00FC8L(AGN-PC-02U1PW) |
| Chemical Name | 5-Amino-6-chloronicotinic acid |
| IUPAC Name | 5-amino-6-chloropyridine-3-carboxylic acid |
| InChI | InChI=1S/C6H5ClN2O2/c7-5-4(8)1-3(2-9-5)6(10)11/h1-2H,8H2,(H,10,11) |
| InChI Key | SXZWNLGHSKAIMC-UHFFFAOYSA-N |
| MDL Number | MFCD18259039 |
| Molecular Formula | C6H5ClN2O2 |
| Molecular Weight | 172.5691 |
| SMILES | C1=C(C=NC(=C1N)Cl)C(=O)O |
| Synonyms | 5-AMINO-6-CHLORONICOTINIC ACID,
72587-17-8,
5-amino-6-chloropyridine-3-carboxylic acid,
SCHEMBL11188300,
SXZWNLGHSKAIMC-UHFFFAOYSA-N,
KM3674,
MFCD18259039,
ZINC88613662,
AKOS024261623,
AB75265,
AJ-128243,
FT-0708523,
V7497,
3-Pyridinecarboxylic acid, 5-amino-6-chloro-,
C6H5ClN2O2,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.568g/mol |
| Monoisotopic Mass | 172.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number