(E)-N-((6-Chloropyridin-3-yl)methyl)-N'-cyanoethanimidamide

C₉H₉ClN₄CAS 190604-92-3208.65 g/mol

Open in Covalent MOL file

Amidine Aryl halide Nitrile

Properties

Molecular formula: C₉H₉ClN₄
Molar mass: 208.65 g/mol
Exact mass: 208.0516 Da
logP: 1.72Crippen estimate
Polar surface area: 61.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

190604-92-3

SMILES

CC(=NCC1=CN=C(C=C1)Cl)NC#N

InChIKey

AYEAUPRZTZWBBF-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClN4/c1-7(14-6-11)12-4-8-2-3-9(10)13-5-8/h2-3,5H,4H2,1H3,(H,12,14)

Weigh it out

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

Names and synonyms

11 names

N'-[(6-Chloro-3-pyridinyl)methyl]-N-cyanoethanimidamide
N-(6-Chloro-3-pyridylmethyl)-N'-cyano-acetamidine
(E)-N-((6-Chloropyridin-3-yl)methyl)-N'-cyanoacetimidamide
Ethanimidamide, N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-, (1E)-
N-[(6-Chloropyridin-3-yl)methyl]-N'-cyanoethanimidamide
N'-[(6-Chloropyridin-3-yl)methyl]-N-cyanoethanimidamide
Acetamiprid desmethyl
Acetamipride-N-desmethyl
n1-[(6-Chloro-3-pyridyl)methyl]-n2-cyanoacetamidine
N'-[(6-Chloro-3-pyridyl)methyl]-N-cyano-acetamidine
(1E)-N-[(6-Chloropyridin-3-yl)methyl]-N'-cyanoethanimidamide

Work with (E)-N-((6-Chloropyridin-3-yl)methyl)-N'-cyanoethanimidamide

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

2-(6-Chloropyridin-3-yl)acetonitrile39891-09-345 % similar Acetamiprid135410-20-744 % similar N-[(6-Chloro-3-pyridinyl)methyl]-N′-cyano-N-methylethanimidamide160430-64-844 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-340 % similar (6-Chloropyridin-3-yl)methanol21543-49-739 % similar 6-Chloro-3-pyridinemethanamine97004-04-139 % similar Thiacloprid111988-49-938 % similar 2-(6-Chloropyridin-3-yl)acetic acid39891-13-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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