| CAS Number | 77616-97-8 |
| Catalog Number | AG00G7ZT(AGN-PC-0WD0P4) |
| Chemical Name | 3-Amino-6-bromo-4-(pyridin-2-yl)quinolin-2(1H)-one |
| IUPAC Name | 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one |
| InChI | InChI=1S/C14H10BrN3O/c15-8-4-5-10-9(7-8)12(13(16)14(19)18-10)11-3-1-2-6-17-11/h1-7H,16H2,(H,18,19) |
| InChI Key | DVLDFOLKYISENR-UHFFFAOYSA-N |
| MDL Number | MFCD26793483 |
| Molecular Formula | C14H10BrN3O |
| Molecular Weight | 316.1527 |
| SMILES | O=C1NC2=C(C=C(Br)C=C2)C(C3=NC=CC=C3)=C1N |
| Synonyms | 3-Amino-6-bromo-4-(pyridin-2-yl)quinolin-2(1H)-one,
77616-97-8,
DTXSID50507418,
2167AC,
ZINC39270377,
AKOS016000926,
AJ-99538,
AX8232334,
3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one,
C14H10BrN3O,
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| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.158g/mol |
| Monoisotopic Mass | 315.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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