| CAS Number | 40262-63-3 |
| Catalog Number | AG01C0F2(AGN-PC-044DNT) |
| Chemical Name | 6-(Pyrrolidin-1-yl)pyrazine-2-carboxylic acid |
| IUPAC Name | 6-pyrrolidin-1-ylpyrazine-2-carboxylic acid |
| InChI | InChI=1S/C9H11N3O2/c13-9(14)7-5-10-6-8(11-7)12-3-1-2-4-12/h5-6H,1-4H2,(H,13,14) |
| InChI Key | FWCGWRFACFLWNM-UHFFFAOYSA-N |
| MDL Number | MFCD00233270 |
| Molecular Formula | C9H11N3O2 |
| Molecular Weight | 193.2025 |
| SMILES | O=C(C1=NC(N2CCCC2)=CN=C1)O |
| Synonyms | 6-(pyrrolidin-1-yl)pyrazine-2-carboxylic acid,
40262-63-3,
SCHEMBL6756872,
FWCGWRFACFLWNM-UHFFFAOYSA-N,
ZINC2559868,
AKOS006275226,
EN000840,
6-pyrrolidin-1-ylpyrazine-2-carboxylic acid,
6-(1-pyrrolidinyl) pyrazine-2-carboxylic acid,
Z2465875670,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.206g/mol |
| Monoisotopic Mass | 193.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number