N-Butyl 5-nitropicolinamide - CAS 1437794-67-6
Catalog: |
BB071566 |
Product Name: |
N-Butyl 5-nitropicolinamide |
CAS: |
1437794-67-6 |
Synonyms: |
N-Butyl 5-nitropicolinamide; N-BUTYL-5-NITROPYRIDINE-2-CARBOXAMIDE; N-Butyl5-nitropicolinamide |
IUPAC Name: | N-butyl-5-nitropyridine-2-carboxamide |
Description: | N-Butyl 5-nitropicolinamide |
Molecular Weight: | 223.23 |
Molecular Formula: | C10H13N3O3 |
Canonical SMILES: | CCCCNC(=O)C1=NC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C10H13N3O3/c1-2-3-6-11-10(14)9-5-4-8(7-12-9)13(15)16/h4-5,7H,2-3,6H2,1H3,(H,11,14) |
InChI Key: | PCTHYKZDUGQVRA-UHFFFAOYSA-N |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.09569129 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.09569129 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 87.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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