| CAS Number | 1189327-30-7 |
| Catalog Number | AG00HETH(AGN-PC-0WG4DH) |
| Chemical Name | (6-Aminopyridin-3-yl)(2-methoxyphenyl)methanone |
| IUPAC Name | (6-aminopyridin-3-yl)-(2-methoxyphenyl)methanone |
| InChI | InChI=1S/C13H12N2O2/c1-17-11-5-3-2-4-10(11)13(16)9-6-7-12(14)15-8-9/h2-8H,1H3,(H2,14,15) |
| InChI Key | VDMQKKDQPGKRCW-UHFFFAOYSA-N |
| MDL Number | MFCD26394403 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | COc1ccccc1C(=O)c1ccc(=N)[nH]c1 |
| Synonyms | (6-aminopyridin-3-yl)(2-methoxyphenyl)methanone,
1189327-30-7,
SCHEMBL1016670,
VDMQKKDQPGKRCW-UHFFFAOYSA-N,
MFCD26394403,
ZINC115040508,
CS-0036655,
(6-amino-pyridin-3-yl)-(2-methoxy-phenyl)-methanone,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.251g/mol |
| Monoisotopic Mass | 228.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number