| CAS Number | 1357945-31-3 |
| Catalog Number | AG009F2I(AGN-PC-0WNW18) |
| Chemical Name | 3-b]pyridine |
| IUPAC Name | 3-chloro-2H-pyrazolo[4,3-b]pyridine |
| InChI | InChI=1S/C6H4ClN3/c7-6-5-4(9-10-6)2-1-3-8-5/h1-3H,(H,9,10) |
| InChI Key | VTZFXQIDOWNVDA-UHFFFAOYSA-N |
| MDL Number | MFCD22380441 |
| Molecular Formula | C6H4ClN3 |
| Molecular Weight | 153.5691 |
| SMILES | c1cc2c(c(n[nH]2)Cl)nc1 |
| Synonyms | 3-Chloro-1H-pyrazolo[4,3-b]pyridine,
1357945-31-3,
3-chloro-2H-pyrazolo[4,3-b]pyridine,
3-b]pyridine,
SCHEMBL2118781,
DTXSID00736776,
MFCD22380441,
ZINC87493335,
AS-30629,
AB0037934,
Y5269,
C-0406,
C6H4ClN3,
3-chloro-1H-pyrazolo[4,3-b]pyridine, 95% - 1G 1g,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.569g/mol |
| Monoisotopic Mass | 153.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number