N-(2-Cyano-5-formylpyridin-3-yl)pivalamide - CAS 1246088-39-0
Catalog: |
BB069139 |
Product Name: |
N-(2-Cyano-5-formylpyridin-3-yl)pivalamide |
CAS: |
1246088-39-0 |
Synonyms: |
N-(2-Cyano-5-formylpyridin-3-yl)pivalamide; N-(2-cyano-5-formylpyridin-3-yl)-2,2-dimethylpropanamide; N-(2-Cyano-5-formylpyridin-3-yl)pivalamide, AldrichCPR |
IUPAC Name: | N-(2-cyano-5-formylpyridin-3-yl)-2,2-dimethylpropanamide |
Description: | N-(2-Cyano-5-formylpyridin-3-yl)pivalamide |
Molecular Weight: | 231.25 |
Molecular Formula: | C12H13N3O2 |
Canonical SMILES: | CC(C)(C)C(=O)NC1=C(N=CC(=C1)C=O)C#N |
InChI: | InChI=1S/C12H13N3O2/c1-12(2,3)11(17)15-9-4-8(7-16)6-14-10(9)5-13/h4,6-7H,1-3H3,(H,15,17) |
InChI Key: | FRQDOYCGDQZWFA-UHFFFAOYSA-N |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.100776666 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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