| CAS Number | 960060-88-2 |
| Catalog Number | AG019W6D(AGN-PC-0WO15B) |
| Chemical Name | 6-(Cyclopropylamino)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(cyclopropylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H10N2O2/c12-9(13)6-1-4-8(10-5-6)11-7-2-3-7/h1,4-5,7H,2-3H2,(H,10,11)(H,12,13) |
| InChI Key | BJWSFKCKOOIPSA-UHFFFAOYSA-N |
| MDL Number | MFCD11132008 |
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.1879 |
| SMILES | OC(C1=CN=C(NC2CC2)C=C1)=O |
| Synonyms | 6-(cyclopropylamino)pyridine-3-carboxylic acid,
960060-88-2,
AC1Q73YP,
CHEMBL235615,
SCHEMBL1542481,
6-cyclopropylamino-nicotinic acid,
CTK7I8212,
BJWSFKCKOOIPSA-UHFFFAOYSA-N,
6-(cyclopropylamino)nicotinic acid,
ZINC19844609,
AKOS000214499,
MCULE-6083683861,
NE60043,
EN300-50671,
AB00996116-01,
3-Pyridinecarboxylic acid, 6-(cyclopropylamino)-,
F6146-0140,
3-Pyridinecarboxylic acid, 6-(cyclopropylamino),
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.191g/mol |
| Monoisotopic Mass | 178.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number