| CAS Number | 1112851-37-2 |
| Catalog Number | AG00HC4Q(AGN-PC-0BUCJQ) |
| Chemical Name | 6-bromo-5-methoxypyridine-2-carbonitrile |
| IUPAC Name | 6-bromo-5-methoxypyridine-2-carbonitrile |
| InChI | InChI=1S/C7H5BrN2O/c1-11-6-3-2-5(4-9)10-7(6)8/h2-3H,1H3 |
| InChI Key | VDEZFORNGSDBIW-UHFFFAOYSA-N |
| MDL Number | MFCD20039958 |
| Molecular Formula | C7H5BrN2O |
| Molecular Weight | 213.0314 |
| SMILES | N#CC1=NC(Br)=C(OC)C=C1 |
| Synonyms | 6-Bromo-5-methoxypicolinonitrile,
1112851-37-2,
6-bromo-5-methoxypyridine-2-carbonitrile,
SCHEMBL930182,
VDEZFORNGSDBIW-UHFFFAOYSA-N,
MFCD20039958,
ZINC98179688,
AKOS022190261,
FCH1362768,
6-Bromo-5-methoxy-2-pyridinecarbonitrile,
AJ-140795,
AX8287889,
2-Pyridinecarbonitrile, 6-bromo-5-methoxy-,
EN300-189325,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.034g/mol |
| Monoisotopic Mass | 211.959g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number