| CAS Number | 1008769-68-3 |
| Catalog Number | AG01AM2X |
| Chemical Name | 5-chloro-6-(cyclohexyloxy)pyridine-3-carboxylic acid |
| IUPAC Name | 5-chloro-6-cyclohexyloxypyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H14ClNO3/c13-10-6-8(12(15)16)7-14-11(10)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,15,16) |
| InChI Key | QHXPSXUNQSIDKF-UHFFFAOYSA-N |
| MDL Number | MFCD11156655 |
| Molecular Formula | C12H14ClNO3 |
| Molecular Weight | 255.6975 |
| SMILES | OC(C1=CC(Cl)=C(OC2CCCCC2)N=C1)=O |
| Synonyms | 5-chloro-6-(cyclohexyloxy)pyridine-3-carboxylic acid,
1008769-68-3,
SCHEMBL4946467,
QHXPSXUNQSIDKF-UHFFFAOYSA-N,
ZINC20081372,
AKOS000263294,
5-chloro-6-(cyclohexyloxy)nicotinic acid,
Z2213893383,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.698g/mol |
| Monoisotopic Mass | 255.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number