| CAS Number | 1251225-65-6 |
| Catalog Number | AG01C4FS(AGN-PC-0WCB0P) |
| Chemical Name | 2-(cyclobutylamino)pyridine-4-carboxylic acid |
| IUPAC Name | 2-(cyclobutylamino)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H12N2O2/c13-10(14)7-4-5-11-9(6-7)12-8-2-1-3-8/h4-6,8H,1-3H2,(H,11,12)(H,13,14) |
| InChI Key | FWDJVEVMSAYCLD-UHFFFAOYSA-N |
| MDL Number | MFCD16747175 |
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.2145 |
| SMILES | O=C(C1=CC(NC2CCC2)=NC=C1)O |
| Synonyms | 2-(Cyclobutylamino)isonicotinic acid,
1251225-65-6,
2-(cyclobutylamino)pyridine-4-carboxylic acid,
KS-00003TDV,
MFCD16747175,
ZINC52212073,
AKOS011702081,
TS-02717,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.218g/mol |
| Monoisotopic Mass | 192.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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