N-[(6-Chloro-3-pyridinyl)methyl]-N′-cyano-N-methylethanimidamide

C₁₀H₁₁ClN₄CAS 160430-64-8222.68 g/mol

Open in Covalent MOL file

Amidine Aryl halide Nitrile

Properties

Molecular formula: C₁₀H₁₁ClN₄
Molar mass: 222.68 g/mol
Exact mass: 222.0672 Da
logP: 2.07Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

160430-64-8

SMILES

CC(=NC#N)N(C)Cc1ccc(Cl)nc1

InChIKey

WCXDHFDTOYPNIE-UHFFFAOYSA-N

InChI

InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3

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Names and synonyms

1 names

Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N′-cyano-N-methyl-

Work with N-[(6-Chloro-3-pyridinyl)methyl]-N′-cyano-N-methylethanimidamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiacloprid111988-49-955 % similar 6-Chloro-3-pyridineacetonitrile39891-09-347 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-338 % similar 6-Chloro-3-pyridinemethanamine97004-04-137 % similar 1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine105827-78-935 % similar Imidacloprid138261-41-335 % similar 6-Chloronicotinonitrile33252-28-734 % similar N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-1,1-ethenediamine120738-89-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Acetamiprid135410-20-7

Elsewhere

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