| CAS Number | 1019493-16-3 |
| Catalog Number | AG01A6LT(AGN-PC-0WO21J) |
| Chemical Name | 5-Chloro-6-(cyclopropylmethoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 5-chloro-6-(cyclopropylmethoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H10ClNO3/c11-8-3-7(10(13)14)4-12-9(8)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14) |
| InChI Key | BVZPQIQIXDKNRK-UHFFFAOYSA-N |
| MDL Number | MFCD11136671 |
| Molecular Formula | C10H10ClNO3 |
| Molecular Weight | 227.6443 |
| SMILES | OC(C1=CC(Cl)=C(OCC2CC2)N=C1)=O |
| Synonyms | 5-chloro-6-(cyclopropylmethoxy)pyridine-3-carboxylic acid,
1019493-16-3,
CHEMBL3454344,
SCHEMBL15351916,
BVZPQIQIXDKNRK-UHFFFAOYSA-N,
ZINC19870758,
AKOS000221000,
MCULE-1891271104,
NE32241,
FT-0747006,
5-chloro-6-(cyclopropylmethoxy)nicotinic Acid,
Z1664966440,
5-chloro-6-(cyclopropylmethoxy)-3-Pyridinecarboxylic acid,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.644g/mol |
| Monoisotopic Mass | 227.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number