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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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3-Bromo-6-methoxy-2-methyl-5-nitropyridineCas Number: 186413-76-3 Compound CID: 10752988Formula: C7H7BrN2O3 Molecular Weight: 247.05IUPAC Name: 5-bromo-2-methoxy-6-methyl-3-nitropyridineSMILES: CC1=C(C=C(C(=N1)OC)[N+](=O)[O-])BrInChIKey: VQVXYSCNTSWXJC-UHFFFAOYSA-NInChI: InChI=1S/C7H7BrN2O3/c1-4-5(8)3-6(10(11)12)7(9-4)13-2/h3H,1-2H3 -
3-(Difluoromethoxy)-2-nitropyridineCas Number: 1111637-77-4 Compound CID: 19034678Formula: C6H4F2N2O3 Molecular Weight: 190.1IUPAC Name: 3-(difluoromethoxy)-2-nitropyridineSMILES: C1=CC(=C(N=C1)[N+](=O)[O-])OC(F)FInChIKey: QIAOBDSINGSZRL-UHFFFAOYSA-NInChI: InChI=1S/C6H4F2N2O3/c7-6(8)13-4-2-1-3-9-5(4)10(11)12/h1-3,6H
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2，6-Dihydroxy-3-nitropyridineCas Number: 16013-84-6 Compound CID: 3804196IUPAC Name: 6-hydroxy-5-nitro-1H-pyridin-2-oneSMILES: C1=CC(=O)NC(=C1[N+](=O)[O-])OInChIKey: OANIJGWISUGBFS-UHFFFAOYSA-NInChI: InChI=1S/C5H4N2O4/c8-4-2-1-3(7(10)11)5(9)6-4/h1-2H,(H2,6,8,9)
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2，5-Difluoro-3-nitropyridineCas Number: 179558-82-8 Compound CID: 45090713Formula: C5H2F2N2O2 Molecular Weight: 160.08IUPAC Name: 2,5-difluoro-3-nitropyridineSMILES: C1=C(C=NC(=C1[N+](=O)[O-])F)FInChIKey: VGMUUROJPIKOIB-UHFFFAOYSA-NInChI: InChI=1S/C5H2F2N2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
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2，5-Dibromo-4-methyl-3-nitropyridineCas Number: 947534-69-2 Compound CID: 29919315Formula: C6H4Br2N2O2 Molecular Weight: 295.93IUPAC Name: 2,5-dibromo-4-methyl-3-nitropyridineSMILES: CC1=C(C(=NC=C1Br)Br)[N+](=O)[O-]InChIKey: MFWWZPPJIRAWSL-UHFFFAOYSA-NInChI: InChI=1S/C6H4Br2N2O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3
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2，3-Dimethyl-4-nitropyridineCas Number: 68707-69-7 Compound CID: 11217348Formula: C7H8N2O2 Molecular Weight: 152.15IUPAC Name: 2,3-dimethyl-4-nitropyridineSMILES: CC1=C(C=CN=C1C)[N+](=O)[O-]InChIKey: WSQGOUOZNCRFNQ-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2O2/c1-5-6(2)8-4-3-7(5)9(10)11/h3-4H,1-2H3
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2-methoxy-3-nitropyridin-4-amineCas Number: 33623-16-4 Compound CID: 13040399Formula: C6H7N3O3 Molecular Weight: 169.14IUPAC Name: 2-methoxy-3-nitropyridin-4-amineSMILES: COC1=NC=CC(=C1[N+](=O)[O-])NInChIKey: XADFTCGTAKIZMI-UHFFFAOYSA-NInChI: InChI=1S/C6H7N3O3/c1-12-6-5(9(10)11)4(7)2-3-8-6/h2-3H,1H3,(H2,7,8)
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2-chloro-4，6-dimethyl-3-nitropyridineCas Number: 89793-09-9 Compound CID: 21875578Formula: C7H7ClN2O2 Molecular Weight: 186.59IUPAC Name: 2-chloro-4,6-dimethyl-3-nitropyridineSMILES: CC1=CC(=NC(=C1[N+](=O)[O-])Cl)CInChIKey: NZEYMNVLIWPZDW-UHFFFAOYSA-NInChI: InChI=1S/C7H7ClN2O2/c1-4-3-5(2)9-7(8)6(4)10(11)12/h3H,1-2H3
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2-chloro-5-fluoro-4-nitropyridine 1-oxideCas Number: 405230-80-0 Compound CID: 22284022Formula: C5H2ClFN2O3 Molecular Weight: 192.53IUPAC Name: 2-chloro-5-fluoro-4-nitro-1-oxidopyridin-1-iumSMILES: C1=C(C(=C[N+](=C1Cl)[O-])F)[N+](=O)[O-]InChIKey: MEGKAPYCJRCDAE-UHFFFAOYSA-NInChI: InChI=1S/C5H2ClFN2O3/c6-5-1-4(9(11)12)3(7)2-8(5)10/h1-2H
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2-chloro-4-methoxy-5-nitropyrimidineCas Number: 282102-07-2 Compound CID: 3801616Formula: C5H4ClN3O3 Molecular Weight: 189.56IUPAC Name: 2-chloro-4-methoxy-5-nitropyrimidineSMILES: COC1=NC(=NC=C1[N+](=O)[O-])ClInChIKey: JMFJZBKFBHAICF-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClN3O3/c1-12-4-3(9(10)11)2-7-5(6)8-4/h2H,1H3
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2-Methyl-3-nitropyridin-4-olCas Number: 18614-66-9 Compound CID: 18795827Formula: C6H6N2O3 Molecular Weight: 154.12IUPAC Name: 2-methyl-3-nitro-1H-pyridin-4-oneSMILES: CC1=C(C(=O)C=CN1)[N+](=O)[O-]InChIKey: SJIBWWCVKBIGAJ-UHFFFAOYSA-NInChI: InChI=1S/C6H6N2O3/c1-4-6(8(10)11)5(9)2-3-7-4/h2-3H,1H3,(H,7,9)
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2-Hydrazinyl-3-nitropyridineCas Number: 15367-16-5 Compound CID: 3578935Formula: C5H6N4O2 Molecular Weight: 154.12IUPAC Name: (3-nitropyridin-2-yl)hydrazineSMILES: C1=CC(=C(N=C1)NN)[N+](=O)[O-]InChIKey: QPDGBZPNEZMTOU-UHFFFAOYSA-NInChI: InChI=1S/C5H6N4O2/c6-8-5-4(9(10)11)2-1-3-7-5/h1-3H,6H2,(H,7,8)
