| CAS Number | 1214241-92-5 |
| Catalog Number | AG01DYIB |
| Chemical Name | 1-(5-Amino-2-chloro-4-pyridinyl)ethanone |
| IUPAC Name | 1-(5-amino-2-chloropyridin-4-yl)ethanone |
| InChI | InChI=1S/C7H7ClN2O/c1-4(11)5-2-7(8)10-3-6(5)9/h2-3H,9H2,1H3 |
| InChI Key | KCZATQCAWVTNJF-UHFFFAOYSA-N |
| MDL Number | MFCD20482996 |
| Molecular Formula | C7H7ClN2O |
| Molecular Weight | 170.5963 |
| SMILES | NC=1C(=CC(=NC1)Cl)C(C)=O |
| Synonyms | 1-(5-AMINO-2-CHLOROPYRIDIN-4-YL)ETHANONE,
1214241-92-5,
SCHEMBL2185131,
KCZATQCAWVTNJF-UHFFFAOYSA-N,
AKOS030630612,
AB76450,
1-(5-AMINO-2-CHLOROPYRIDIN-4-YL)ETHAN-1-ONE,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.596g/mol |
| Monoisotopic Mass | 170.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number