| CAS Number | 1337880-73-5 |
| Catalog Number | AG01BVGF |
| Chemical Name | Isoquinoline-5-carboxamide |
| IUPAC Name | isoquinoline-5-carboxamide |
| InChI | InChI=1S/C10H8N2O/c11-10(13)9-3-1-2-7-6-12-5-4-8(7)9/h1-6H,(H2,11,13) |
| InChI Key | SJFXVNZZLJUPCS-UHFFFAOYSA-N |
| MDL Number | MFCD22380136 |
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.1833 |
| SMILES | NC(C1=C2C(C=NC=C2)=CC=C1)=O |
| Synonyms | isoquinoline-5-carboxamide,
1337880-73-5,
SCHEMBL4040801,
ZINC82769138,
AKOS022882160,
Z1302565631,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.187g/mol |
| Monoisotopic Mass | 172.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number