| CAS Number | 1247194-55-3 |
| Catalog Number | AG01AG7C(AGN-PC-0WO4IN) |
| Chemical Name | [5-Chloro-6-(propan-2-yloxy)pyridin-3-yl]methanol |
| IUPAC Name | (5-chloro-6-propan-2-yloxypyridin-3-yl)methanol |
| InChI | InChI=1S/C9H12ClNO2/c1-6(2)13-9-8(10)3-7(5-12)4-11-9/h3-4,6,12H,5H2,1-2H3 |
| InChI Key | LVTJUYBHZPUHMF-UHFFFAOYSA-N |
| MDL Number | MFCD14606469 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | CC(OC1=C(Cl)C=C(CO)C=N1)C |
| Synonyms | 1247194-55-3,
[5-chloro-6-(propan-2-yloxy)pyridin-3-yl]methanol,
(5-Chloro-6-isopropoxypyridin-3-yl)methanol,
SCHEMBL10088548,
ZINC40883476,
AKOS010506698,
MCULE-5866729045,
NE53097,
Z1795826984,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number