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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-Fluoro-6-methyl-3-nitropyridineCas Number: 19346-45-3 Compound CID: 2783178Formula: C6H5FN2O2 Molecular Weight: 156.12IUPAC Name: 2-fluoro-6-methyl-3-nitropyridineSMILES: CC1=NC(=C(C=C1)[N+](=O)[O-])FInChIKey: BCCWOQXQVNCXKC-UHFFFAOYSA-NInChI: InChI=1S/C6H5FN2O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3 -
2-Fluoro-3-Nitro-4-PicolineCas Number: 19346-43-1 Compound CID: 12408182Formula: C6H5FN2O2 Molecular Weight: 156.12IUPAC Name: 2-fluoro-4-methyl-3-nitropyridineSMILES: CC1=C(C(=NC=C1)F)[N+](=O)[O-]InChIKey: AUHFWLUBEJKXLN-UHFFFAOYSA-NInChI: InChI=1S/C6H5FN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
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2-Fluoro-3-methyl-5-nitropyridineCas Number: 19346-46-4 Compound CID: 12408184Formula: C6H5FN2O2 Molecular Weight: 156.12IUPAC Name: 2-fluoro-3-methyl-5-nitropyridineSMILES: CC1=CC(=CN=C1F)[N+](=O)[O-]InChIKey: CFKHKTLGKNBEPI-UHFFFAOYSA-NInChI: InChI=1S/C6H5FN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3
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2-Chloro-N-isopropyl-5-nitropyrimidin-4-amineCas Number: 890094-38-9 Compound CID: 7147235Formula: C7H9ClN4O2 Molecular Weight: 216.62IUPAC Name: 2-chloro-5-nitro-N-propan-2-ylpyrimidin-4-amineSMILES: CC(C)NC1=NC(=NC=C1[N+](=O)[O-])ClInChIKey: XGDPRAOPHIPUTB-UHFFFAOYSA-NInChI: InChI=1S/C7H9ClN4O2/c1-4(2)10-6-5(12(13)14)3-9-7(8)11-6/h3-4H,1-2H3,(H,9,10,11)
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2-Chloro-3-methoxy-6-nitropyridineCas Number: 886371-75-1 Compound CID: 55252808IUPAC Name: 2-chloro-3-methoxy-6-nitropyridineSMILES: COC1=C(N=C(C=C1)[N+](=O)[O-])ClInChIKey: XJSAWHJQCHAIDG-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN2O3/c1-12-4-2-3-5(9(10)11)8-6(4)7/h2-3H,1H3
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2-Bromo-6-methyl-4-nitropyridineCas Number: 97944-46-2 Compound CID: 13419590Formula: C6H5BrN2O2 Molecular Weight: 217.02IUPAC Name: 2-bromo-6-methyl-4-nitropyridineSMILES: CC1=CC(=CC(=N1)Br)[N+](=O)[O-]InChIKey: BVBRVPXLHHOEMP-UHFFFAOYSA-NInChI: InChI=1S/C6H5BrN2O2/c1-4-2-5(9(10)11)3-6(7)8-4/h2-3H,1H3
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2-Bromo-5-nitro-1，3，4-thiadiazoleCas Number: 22758-10-7 Compound CID: 12207870Formula: C2BrN3O2S Molecular Weight: 210.01IUPAC Name: 2-bromo-5-nitro-1,3,4-thiadiazoleSMILES: C1(=NN=C(S1)Br)[N+](=O)[O-]InChIKey: MMLSYAVGEQIGQC-UHFFFAOYSA-NInChI: InChI=1S/C2BrN3O2S/c3-1-4-5-2(9-1)6(7)8
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2-Bromo-5-fluoro-4-methyl-3-nitropyridineCas Number: 917918-84-4 Compound CID: 29919359Formula: C6H4BrFN2O2 Molecular Weight: 235.01IUPAC Name: 2-bromo-5-fluoro-4-methyl-3-nitropyridineSMILES: CC1=C(C(=NC=C1F)Br)[N+](=O)[O-]InChIKey: GETCZNOCLJMNEA-UHFFFAOYSA-NInChI: InChI=1S/C6H4BrFN2O2/c1-3-4(8)2-9-6(7)5(3)10(11)12/h2H,1H3
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2-Bromo-5-fluoro-4-nitropyridine 1-oxideCas Number: 935534-40-0 Compound CID: 70700804Formula: C5H2BrFN2O3 Molecular Weight: 236.99IUPAC Name: 2-bromo-5-fluoro-4-nitro-1-oxidopyridin-1-iumSMILES: C1=C(C(=C[N+](=C1Br)[O-])F)[N+](=O)[O-]InChIKey: ATFPCLRVCOJQTA-UHFFFAOYSA-NInChI: InChI=1S/C5H2BrFN2O3/c6-5-1-4(9(11)12)3(7)2-8(5)10/h1-2H
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2-Amino-6-bromo-5-nitropyridineCas Number: 84487-05-8 Compound CID: 13040406Formula: C5H4BrN3O2 Molecular Weight: 218.01IUPAC Name: 6-bromo-5-nitropyridin-2-amineSMILES: C1=CC(=NC(=C1[N+](=O)[O-])Br)NInChIKey: GSICIBOPCHOCJK-UHFFFAOYSA-NInChI: InChI=1S/C5H4BrN3O2/c6-5-3(9(10)11)1-2-4(7)8-5/h1-2H,(H2,7,8)
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2-(Chloromethyl)-3，5-dimethyl-4-nitropyridineCas Number: 153476-68-7 Compound CID: 11217896Formula: C8H9ClN2O2 Molecular Weight: 200.62IUPAC Name: 2-(chloromethyl)-3,5-dimethyl-4-nitropyridineSMILES: CC1=CN=C(C(=C1[N+](=O)[O-])C)CClInChIKey: TZDCRETVAXMALU-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClN2O2/c1-5-4-10-7(3-9)6(2)8(5)11(12)13/h4H,3H2,1-2H3
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2,4,6-Trimethyl-3-nitropyridineCas Number: 21203-55-4 Compound CID: 2747698Formula: C8H10N2O2 Molecular Weight: 166.18IUPAC Name: 2,4,6-trimethyl-3-nitropyridineSMILES: CC1=CC(=NC(=C1[N+](=O)[O-])C)CInChIKey: UQBHNBZGFVDCAH-UHFFFAOYSA-NInChI: InChI=1S/C8H10N2O2/c1-5-4-6(2)9-7(3)8(5)10(11)12/h4H,1-3H3
