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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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2-Methoxy-5-nitropyrimidin-4-amineCas Number: 304646-29-5 Compound CID: 3274991Formula: C5H6N4O3 Molecular Weight: 170.13IUPAC Name: 2-methoxy-5-nitropyrimidin-4-amineSMILES: COC1=NC=C(C(=N1)N)[N+](=O)[O-]InChIKey: NTYPCKIDOSPATQ-UHFFFAOYSA-NInChI: InChI=1S/C5H6N4O3/c1-12-5-7-2-3(9(10)11)4(6)8-5/h2H,1H3,(H2,6,7,8) -
2-Methoxy-3-nitro-5-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)pyridineCas Number: 1083168-94-8 Compound CID: 57416495Formula: C12H17BN2O5 Molecular Weight: 280.09IUPAC Name: 2-methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineSMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)[N+](=O)[O-]InChIKey: XWXOPFXUTOQOSM-UHFFFAOYSA-NInChI: InChI=1S/C12H17BN2O5/c1-11(2)12(3,4)20-13(19-11)8-6-9(15(16)17)10(18-5)14-7-8/h6-7H,1-5H3
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2-Hydroxymethyl-3-methyl-4-nitropyridineCas Number: 168167-49-5 Compound CID: 9926375Formula: C7H8N2O3 Molecular Weight: 168.15IUPAC Name: (3-methyl-4-nitropyridin-2-yl)methanolSMILES: CC1=C(C=CN=C1CO)[N+](=O)[O-]InChIKey: YFYLOUJBRSOJSQ-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O3/c1-5-6(4-10)8-3-2-7(5)9(11)12/h2-3,10H,4H2,1H3
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2-Iodo-3-nitropyridineCas Number: 209286-96-4 Compound CID: 9942952IUPAC Name: 2-iodo-3-nitropyridineSMILES: C1=CC(=C(N=C1)I)[N+](=O)[O-]InChIKey: DGUAYSMTXILGJD-UHFFFAOYSA-NInChI: InChI=1S/C5H3IN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H
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2-Cyano-3-Methyl-5-NitropyridineCas Number: 65169-63-3 Compound CID: 12404040Formula: C7H5N3O2 Molecular Weight: 163.13IUPAC Name: 3-methyl-5-nitropyridine-2-carbonitrileSMILES: CC1=CC(=CN=C1C#N)[N+](=O)[O-]InChIKey: KMSQJNWARXZFII-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O2/c1-5-2-6(10(11)12)4-9-7(5)3-8/h2,4H,1H3
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2-Ethoxy-4-nitropyridineCas Number: 1187732-70-2 Compound CID: 53485319Formula: C7H8N2O3 Molecular Weight: 168.15IUPAC Name: 2-ethoxy-4-nitropyridineSMILES: CCOC1=NC=CC(=C1)[N+](=O)[O-]InChIKey: KMLVTBQETPUDFG-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O3/c1-2-12-7-5-6(9(10)11)3-4-8-7/h3-5H,2H2,1H3
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2-CHLORO-5-FLUORO-3-NITRO-4-PICOLINECas Number: 1003711-51-0 Compound CID: 29919377Formula: C6H4ClFN2O2 Molecular Weight: 190.56IUPAC Name: 2-chloro-5-fluoro-4-methyl-3-nitropyridineSMILES: CC1=C(C(=NC=C1F)Cl)[N+](=O)[O-]InChIKey: IIAURUOPOPAEEI-UHFFFAOYSA-NInChI: InChI=1S/C6H4ClFN2O2/c1-3-4(8)2-9-6(7)5(3)10(11)12/h2H,1H3
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2-Bromo-3-nitro-5-(trifluoromethyl)pyridineCas Number: 1214336-90-9 Compound CID: 46315200Formula: C6H2BrF3N2O2 Molecular Weight: 271IUPAC Name: 2-bromo-3-nitro-5-(trifluoromethyl)pyridineSMILES: C1=C(C=NC(=C1[N+](=O)[O-])Br)C(F)(F)FInChIKey: MJTPNVWLMZFFIU-UHFFFAOYSA-NInChI: InChI=1S/C6H2BrF3N2O2/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h1-2H
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2-Bromo-3-nitro-6-methylpyridineCas Number: 374633-31-5 Compound CID: 24728013Formula: C6H5BrN2O2 Molecular Weight: 217.03IUPAC Name: 2-bromo-6-methyl-3-nitropyridineSMILES: CC1=NC(=C(C=C1)[N+](=O)[O-])BrInChIKey: IHHLJCDGOSZFTB-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3
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2-(5-Nitro-2-pyridinyl)acetonitrileCas Number: 123846-66-2 Compound CID: 12014965Formula: C7H5N3O2 Molecular Weight: 163.13IUPAC Name: 2-(5-nitropyridin-2-yl)acetonitrileSMILES: C1=CC(=NC=C1[N+](=O)[O-])CC#NInChIKey: PHCKNSBYAFTJKZ-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O2/c8-4-3-6-1-2-7(5-9-6)10(11)12/h1-2,5H,3H2
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2-(Benzyloxy)-4-methyl-5-nitropyridineCas Number: 22754-93-4 Compound CID: 56592974Formula: C13H12N2O3 Molecular Weight: 244.25IUPAC Name: 4-methyl-5-nitro-2-phenylmethoxypyridineSMILES: CC1=CC(=NC=C1[N+](=O)[O-])OCC2=CC=CC=C2InChIKey: XBBRWFKHXFNNTG-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O3/c1-10-7-13(14-8-12(10)15(16)17)18-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
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1，5-Dimethyl-3-nitro-1h-pyrazoleCas Number: 59376-16-8 Compound CID: 7017836Formula: C5H7N3O2 Molecular Weight: 141.13IUPAC Name: 1,5-dimethyl-3-nitropyrazoleSMILES: CC1=CC(=NN1C)[N+](=O)[O-]InChIKey: KTPNKIOQKXHCMA-UHFFFAOYSA-NInChI: InChI=1S/C5H7N3O2/c1-4-3-5(8(9)10)6-7(4)2/h3H,1-2H3
