| CAS Number | 39891-06-0 |
| Catalog Number | AG00CMFB(AGN-PC-0WBSCG) |
| Chemical Name | 2-(5-Fluoropyridin-3-yl)acetonitrile |
| IUPAC Name | 2-(5-fluoropyridin-3-yl)acetonitrile |
| InChI | InChI=1S/C7H5FN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1H2 |
| InChI Key | OCVAQFOGIUNAIY-UHFFFAOYSA-N |
| MDL Number | MFCD09923815 |
| Molecular Formula | C7H5FN2 |
| Molecular Weight | 136.1264 |
| SMILES | N#CCC1=CC(F)=CN=C1 |
| Synonyms | 2-(5-FLUOROPYRIDIN-3-YL)ACETONITRILE,
39891-06-0,
SCHEMBL16462737,
CTK8I5824,
DTXSID20695230,
3-Pyridineacetonitrile, 5-fluoro-,
(5-Fluoropyridin-3-yl)acetonitrile,
KS-000008CA,
2-(5-Fluoro-3-pyridyl)acetonitrile,
MFCD09923815,
ZINC44368728,
AKOS006314048,
3-FLUOROPYRIDINE-5-ACETONITRILE,
PB29755,
AS-34901,
SC-12878,
CS-0052261,
Q-2894,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.129g/mol |
| Monoisotopic Mass | 136.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number