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Allyl-type 1,3-dipolar organic compounds
Description:
Organic 1,3-dipolar compounds with the general structure X=Y+-Z- <-> X--Y+=Z<-> X+-Y-Z-<-> X-=Y-Z+ (X, Z = C, N, or O; Y = N or O).
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5-(TRIFLUOROMETHYL)-3-NITROPYRIDIN-2-AMINECas Number: 53359-69-6 Compound CID: 10608391Formula: C6H4F3N3O2 Molecular Weight: 207.11IUPAC Name: 3-nitro-5-(trifluoromethyl)pyridin-2-amineSMILES: C1=C(C=NC(=C1[N+](=O)[O-])N)C(F)(F)FInChIKey: LHUVKANNSWTRJI-UHFFFAOYSA-NInChI: InChI=1S/C6H4F3N3O2/c7-6(8,9)3-1-4(12(13)14)5(10)11-2-3/h1-2H,(H2,10,11) -
5-(Bromomethyl)-2-nitropyridineCas Number: 448968-52-3 Compound CID: 58122257Formula: C6H5BrN2O2 Molecular Weight: 217.02IUPAC Name: 5-(bromomethyl)-2-nitropyridineSMILES: C1=CC(=NC=C1CBr)[N+](=O)[O-]InChIKey: RWMMMFKJDQNPTR-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O2/c7-3-5-1-2-6(8-4-5)9(10)11/h1-2,4H,3H2
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4-NitroisoxazoleCas Number: 1121-13-7 Compound CID: 11332437Formula: C3H2N2O3 Molecular Weight: 114.06IUPAC Name: 4-nitro-1,2-oxazoleSMILES: C1=C(C=NO1)[N+](=O)[O-]InChIKey: LLLMLGQOFWRRTH-UHFFFAOYSA-NInChI: InChI=1S/C3H2N2O3/c6-5(7)3-1-4-8-2-3/h1-2H
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4-Nitro-1h-pyrazol-5-amineCas Number: 16115-82-5 Compound CID: 3613991Formula: C3H4N4O2 Molecular Weight: 128.09IUPAC Name: 4-nitro-1H-pyrazol-5-amineSMILES: C1=NNC(=C1[N+](=O)[O-])NInChIKey: JWGYPTNGYXOXPV-UHFFFAOYSA-NInChI: InChI=1S/C3H4N4O2/c4-3-2(7(8)9)1-5-6-3/h1H,(H3,4,5,6)
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4-Hydrazino-3-NitropyridineCas Number: 33544-42-2 Compound CID: 4204463Formula: C5H6N4O2 Molecular Weight: 154.129IUPAC Name: (3-nitropyridin-4-yl)hydrazineSMILES: C1=CN=CC(=C1NN)[N+](=O)[O-]InChIKey: HWMWVURSDQRNDO-UHFFFAOYSA-NInChI: InChI=1S/C5H6N4O2/c6-8-4-1-2-7-3-5(4)9(10)11/h1-3H,6H2,(H,7,8)
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4-Chloro-6-methyl-3-nitropyridin-2(1H)-oneCas Number: 95835-64-6 Compound CID: 11435412Formula: C6H5ClN2O3 Molecular Weight: 188.57IUPAC Name: 4-chloro-6-methyl-3-nitro-1H-pyridin-2-oneSMILES: CC1=CC(=C(C(=O)N1)[N+](=O)[O-])ClInChIKey: LXOGQFQXRSVZRP-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN2O3/c1-3-2-4(7)5(9(11)12)6(10)8-3/h2H,1H3,(H,8,10)
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3-Nitro-6，7-dihydro-5H-cyclopenta[b]pyridineCas Number: 84531-36-2 Compound CID: 11564522Formula: C8H8N2O2 Molecular Weight: 164.17IUPAC Name: 3-nitro-6,7-dihydro-5H-cyclopenta[b]pyridineSMILES: C1CC2=C(C1)N=CC(=C2)[N+](=O)[O-]InChIKey: MOSHQQPJHRYIHH-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2O2/c11-10(12)7-4-6-2-1-3-8(6)9-5-7/h4-5H,1-3H2
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3-Nitropyridine-2，4-diamineCas Number: 24501-21-1 Compound CID: 15689194Formula: C5H6N4O2 Molecular Weight: 154.13IUPAC Name: 3-nitropyridine-2,4-diamineSMILES: C1=CN=C(C(=C1N)[N+](=O)[O-])NInChIKey: LXNNKGSAWMJWJN-UHFFFAOYSA-NInChI: InChI=1S/C5H6N4O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H,(H4,6,7,8)
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3-Nitro-2-(trifluoromethyl)pyridineCas Number: 133391-63-6 Compound CID: 15103043IUPAC Name: 3-nitro-2-(trifluoromethyl)pyridineSMILES: C1=CC(=C(N=C1)C(F)(F)F)[N+](=O)[O-]InChIKey: ZVSULEMXEYSULW-UHFFFAOYSA-NInChI: InChI=1S/C6H3F3N2O2/c7-6(8,9)5-4(11(12)13)2-1-3-10-5/h1-3H
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3-Ethoxy-4-nitro-1H-pyrazoleCas Number: 400878-03-7 Compound CID: 3597812Formula: C5H7N3O3 Molecular Weight: 157.13IUPAC Name: 5-ethoxy-4-nitro-1H-pyrazoleSMILES: CCOC1=C(C=NN1)[N+](=O)[O-]InChIKey: PFGDUBXKJBQGRB-UHFFFAOYSA-NInChI: InChI=1S/C5H7N3O3/c1-2-11-5-4(8(9)10)3-6-7-5/h3H,2H2,1H3,(H,6,7)
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3-Cyclopropyl-4-nitro-1H-pyrazoleCas Number: 1249581-67-6 Compound CID: 56777242Formula: C6H7N3O2 Molecular Weight: 153.14IUPAC Name: 5-cyclopropyl-4-nitro-1H-pyrazoleSMILES: C1CC1C2=C(C=NN2)[N+](=O)[O-]InChIKey: WRYNUOFZIOHDEB-UHFFFAOYSA-NInChI: InChI=1S/C6H7N3O2/c10-9(11)5-3-7-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,7,8)
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3-Bromo-6-methyl-5-nitropyridin-2-amineCas Number: 150935-62-9 Compound CID: 29919319Formula: C6H6BrN3O2 Molecular Weight: 232.03IUPAC Name: 3-bromo-6-methyl-5-nitropyridin-2-amineSMILES: CC1=NC(=C(C=C1[N+](=O)[O-])Br)NInChIKey: QEACSSLDLWHNGC-UHFFFAOYSA-NInChI: InChI=1S/C6H6BrN3O2/c1-3-5(10(11)12)2-4(7)6(8)9-3/h2H,1H3,(H2,8,9)
