| CAS Number | 1187322-51-5 |
| Catalog Number | AG003A8V(AGN-PC-08YS60) |
| Chemical Name | 6-Amino-5-iodonicotinonitrile |
| IUPAC Name | 6-amino-5-iodopyridine-3-carbonitrile |
| InChI | InChI=1S/C6H4IN3/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,(H2,9,10) |
| InChI Key | BIUIDXQBQCDCIX-UHFFFAOYSA-N |
| MDL Number | MFCD12827898 |
| Molecular Formula | C6H4IN3 |
| Molecular Weight | 245.0205 |
| SMILES | N#CC1=CN=C(N)C(I)=C1 |
| Synonyms | 6-Amino-5-iodonicotinonitrile,
1187322-51-5,
6-amino-5-iodopyridine-3-carbonitrile,
6-amino-5-iodo-nicotinonitrile,
6-amino-5-iodo-3-pyridinecarbonitrile,
AK159251,
SCHEMBL1314154,
CTK7C9040,
BIUIDXQBQCDCIX-UHFFFAOYSA-N,
0656AD,
MFCD12827898,
SBB055664,
ZINC40448167,
AKOS024464519,
ACN-049555,
DS-9653,
FCH1377063,
AJ-102573,
AX8292608,
ST24045103,
C6H4IN3,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.023g/mol |
| Monoisotopic Mass | 244.945g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number