N-[1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

C₉H₁₀ClN₅O₂CAS 105827-78-9255.66 g/mol

Open in Covalent MOL file

Aryl halide Guanidine Nitro

Properties

Molecular formula: C₉H₁₀ClN₅O₂
Molar mass: 255.66 g/mol
Exact mass: 255.0523 Da
Melting point: 143–144 °C
logP: 0.69Crippen estimate
Polar surface area: 83.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life97.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

105827-78-9

SMILES

O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1

InChIKey

YWTYJOPNNQFBPC-UHFFFAOYSA-N

InChI

InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

Weigh it out

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

Names and synonyms

2 names

1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine
1H-Imidazol-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-

Work with N-[1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

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.

Imidacloprid138261-41-3

Similar compounds

N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-1,1-ethenediamine120738-89-845 % similar Nitenpyram150824-47-845 % similar Thiacloprid111988-49-943 % similar Clothianidin210880-92-536 % similar Acetamiprid135410-20-735 % similar N-[(6-Chloro-3-pyridinyl)methyl]-N′-cyano-N-methylethanimidamide160430-64-835 % similar 2-Chloro-5-nitropyridine4548-45-235 % similar 2-(6-Chloropyridin-3-yl)acetic acid39891-13-935 % similar

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

Elsewhere

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