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CHEMISTRY
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Chemistry

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Also known as: 105827-78-9, N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide, 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-n-nitro-imidazol-2-amine, 1-((6-chloro-3-pyridinyl)methyl)-n-nitro-4,5-dihydro-1h-imidazol-2-amine, Imidacloprid [mi], Imidacloprid [hsdb]

Molecular Formula

C₉H₁₀ClN₅O₂

Molecular Weight

255.66 g/mol

InChI Key

YWTYJOPNNQFBPC-UHFFFAOYSA-N

FDA UNII

3BN7M937V8

1 2D Structure

Imidacloprid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 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)

2.1.3 InChI Key

YWTYJOPNNQFBPC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl

2.2 Other Identifiers

2.2.1 UNII

3BN7M937V8

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 105827-78-9

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

3. 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-n-nitro-imidazol-2-amine

4. 1-((6-chloro-3-pyridinyl)methyl)-n-nitro-4,5-dihydro-1h-imidazol-2-amine

5. Imidacloprid [mi]

6. Imidacloprid [hsdb]

7. Bay Ntn 33893

8. Imidacloprid [mart.]

9. Mls001304087

10. Imidacloprid [green Book]

11. Hms2231f05

12. Hms3373h06

13. Bdbm50212288

14. Mfcd00468059

15. Advocate Component Imidacloprid

16. Akos015895351

17. Imidacloprid Component Of Advocate

18. Imidacloprid [ema Epar Veterinary]

19. Smr000718777

20. Db-042420

21. Ft-0631157

22. Ft-0656073

23. E79264

24. Ab00876233-04

25. A801327

26. J-007111

27. 1-(6-chloro-3-pyridylmethyl)-n-nitromidazolidin-2-ylideneamine

28. 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-n-nitro-1h-imidazol-2-amine

29. 1-[(6-chloropyridin-3-yl)methyl]-n-nitro-4,5-dihydro-1h-imidazol-2-amine

30. 2-chloro-5-{[2-(nitroamino)-4,5-dihydro-1h-imidazol-1-yl]methyl}pyridine

31. N-[1-[(6-chloranylpyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

32. N-{1-[(6-chloro-3-pyridyl)methyl]-4,5-dihydroimidazol-2-yl}nitramide

33. N-(1-((6-chloropyridin-3-yl)methyl)-4,5-dihydro-1h-imidazol-2-yl)nitramide

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀ClN₅O₂
Molecular Weight	255.66 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	255.0523023 g/mol
Monoisotopic Mass	255.0523023 g/mol
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1