8-Pivaloyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonitrile - CAS 1222533-78-9
Catalog: |
BB005372 |
Product Name: |
8-Pivaloyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonitrile |
CAS: |
1222533-78-9 |
Synonyms: |
8-(2,2-dimethylpropanoyl)-6,7-dihydro-5H-1,8-naphthyridine-3-carbonitrile |
IUPAC Name: | 8-(2,2-dimethylpropanoyl)-6,7-dihydro-5H-1,8-naphthyridine-3-carbonitrile |
Description: | 8-Pivaloyl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonitrile (CAS# 1222533-78-9) is a useful research chemical. |
Molecular Weight: | 243.30 |
Molecular Formula: | C14H17N3O |
Canonical SMILES: | CC(C)(C)C(=O)N1CCCC2=C1N=CC(=C2)C#N |
InChI: | InChI=1S/C14H17N3O/c1-14(2,3)13(18)17-6-4-5-11-7-10(8-15)9-16-12(11)17/h7,9H,4-6H2,1-3H3 |
InChI Key: | VCMMQTXCEYFHNO-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD16628237 |
LogP: | 2.34358 |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.137162174 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.137162174 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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