| CAS Number | 579475-51-7 |
| Catalog Number | AG00IAAY(AGN-PC-0WR9ZZ) |
| Chemical Name | 3-(6-Aminopyridin-3-yl)benzonitrile |
| IUPAC Name | 3-(6-aminopyridin-3-yl)benzonitrile |
| InChI | InChI=1S/C12H9N3/c13-7-9-2-1-3-10(6-9)11-4-5-12(14)15-8-11/h1-6,8H,(H2,14,15) |
| InChI Key | DKTXBIIMOGXSQM-UHFFFAOYSA-N |
| MDL Number | MFCD06802140 |
| Molecular Formula | C12H9N3 |
| Molecular Weight | 195.2200 |
| SMILES | N#CC1=CC=CC(C2C=CC(=NC=2)N)=C1 |
| Synonyms | 3-(6-aminopyridin-3-yl)benzonitrile,
579475-51-7,
3-(6-Amino-3-pyridinyl)benzonitrile,
SCHEMBL5562910,
MFCD06802140,
AKOS004116372,
Benzonitrile, 3-(6-amino-3-pyridinyl)-,
BB 0223188,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.225g/mol |
| Monoisotopic Mass | 195.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number