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

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H361d Suspected of damaging the unborn childReproductive toxicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 608-032-00-2), via PubChem.

Precautionary statements

P203, P264, P270, P273, P280, P301+P316, P318, P321, P330, P391, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acetamiprid135410-20-7

Similar compounds

Thiacloprid111988-49-955 % similar 2-(6-Chloropyridin-3-yl)acetonitrile39891-09-347 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-338 % similar (6-Chloropyridin-3-yl)methanol21543-49-737 % similar 6-Chloro-3-pyridinemethanamine97004-04-137 % similar 2-(6-Chloropyridin-3-yl)acetic acid39891-13-935 % similar N-[1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide105827-78-935 % similar Imidacloprid138261-41-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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