2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate

C215H205BBr3Cl7F10N34O46 — CID 157413268

IUPAC2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
SMILESCC[C@@H]1CCO1.COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.COC(=O)c1ccc([N+](=O)[O-])c(Cl)n1.COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCO2)n1.COC(=O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2n1.COC(=O)c1ccc2nc(Cc3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)n(C[C@@H]3CCO3)c2n1.COC(=O)c1ccc2nc(Cc3ccc(Br)c(F)c3)n(C[C@@H]3CCO3)c2n1.COC(Cc1ccc(Br)c(F)c1)(OC)OC.Cc1ccc([N+](=O)[O-])c(Cl)n1.Fc1cc(Cl)ccc1COc1cccc(Br)n1.O=C(O)c1ccc([N+](=O)[O-])c(Cl)n1.O=C(O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2n1.O=C(O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2n1
InChIInChI=1S/C31H25ClF2N4O4.2C30H23ClF2N4O4.C25H29BFN3O5.C19H17BrFN3O3.C12H8BrClFNO.C11H14BrFO3.C11H13N3O5.2C11H15N3O3.C7H5ClN2O4.C6H3ClN2O4.C6H5ClN2O2.C5H10O/c1-40-31(39)27-10-9-26-30(37-27)38(16-21-11-12-41-21)28(35-26)14-18-5-8-22(24(34)13-18)25-3-2-4-29(36-25)42-17-19-6-7-20(32)15-23(19)33;2*31-19-6-5-18(22(32)14-19)16-41-28-3-1-2-24(35-28)21-7-4-17(12-23(21)33)13-27-34-25-8-9-26(30(38)39)36-29(25)37(27)15-20-10-11-40-20;1-24(2)25(3,4)35-26(34-24)17-7-6-15(12-18(17)27)13-21-28-19-8-9-20(23(31)32-5)29-22(19)30(21)14-16-10-11-33-16;1-26-19(25)16-5-4-15-18(23-16)24(10-12-6-7-27-12)17(22-15)9-11-2-3-13(20)14(21)8-11;13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15;1-14-11(15-2,16-3)7-8-4-5-9(12)10(13)6-8;1-18-11(15)8-2-3-9(14(16)17)10(13-8)12-6-7-4-5-19-7;2*1-16-11(15)9-3-2-8(12)10(14-9)13-6-7-4-5-17-7;1-14-7(11)4-2-3-5(10(12)13)6(8)9-4;7-5-4(9(12)13)2-1-3(8-5)6(10)11;1-4-2-3-5(9(10)11)6(7)8-4;1-2-5-3-4-6-5/h2-10,13,15,21H,11-12,14,16-17H2,1H3;2*1-9,12,14,20H,10-11,13,15-16H2,(H,38,39);6-9,12,16H,10-11,13-14H2,1-5H3;2-5,8,12H,6-7,9-10H2,1H3;1-6H,7H2;4-6H,7H2,1-3H3;2-3,7H,4-6H2,1H3,(H,12,13);2*2-3,7H,4-6,12H2,1H3,(H,13,14);2-3H,1H3;1-2H,(H,10,11);2-3H,1H3;5H,2-4H2,1H3/t21-;2*20-;16-;12-;;;3*7-;;;;5-/m00000..000...1/s1
InChIKeyBONRZEQLSISPFQ-YLWXODQWSA-N
MW4689.87 g/mol
LogP40.00
Rot. Bonds65

About 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate

2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate (PubChem CID 157413268) has the molecular formula C215H205BBr3Cl7F10N34O46 and a molecular weight of 4689.87 g/mol. Its IUPAC name is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
PubChem CID157413268
Molecular FormulaC215H205BBr3Cl7F10N34O46
Molecular Weight4689.87 g/mol
Exact Mass4681.01
IUPAC Name2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
SMILESCC[C@@H]1CCO1.COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.COC(=O)c1ccc([N+](=O)[O-])c(Cl)n1.COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCO2)n1.COC(=O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2n1.COC(=O)c1ccc2nc(Cc3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)n(C[C@@H]3CCO3)c2n1.COC(=O)c1ccc2nc(Cc3ccc(Br)c(F)c3)n(C[C@@H]3CCO3)c2n1.COC(Cc1ccc(Br)c(F)c1)(OC)OC.Cc1ccc([N+](=O)[O-])c(Cl)n1.Fc1cc(Cl)ccc1COc1cccc(Br)n1.O=C(O)c1ccc([N+](=O)[O-])c(Cl)n1.O=C(O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2n1.O=C(O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2n1
InChIInChI=1S/C31H25ClF2N4O4.2C30H23ClF2N4O4.C25H29BFN3O5.C19H17BrFN3O3.C12H8BrClFNO.C11H14BrFO3.C11H13N3O5.2C11H15N3O3.C7H5ClN2O4.C6H3ClN2O4.C6H5ClN2O2.C5H10O/c1-40-31(39)27-10-9-26-30(37-27)38(16-21-11-12-41-21)28(35-26)14-18-5-8-22(24(34)13-18)25-3-2-4-29(36-25)42-17-19-6-7-20(32)15-23(19)33;2*31-19-6-5-18(22(32)14-19)16-41-28-3-1-2-24(35-28)21-7-4-17(12-23(21)33)13-27-34-25-8-9-26(30(38)39)36-29(25)37(27)15-20-10-11-40-20;1-24(2)25(3,4)35-26(34-24)17-7-6-15(12-18(17)27)13-21-28-19-8-9-20(23(31)32-5)29-22(19)30(21)14-16-10-11-33-16;1-26-19(25)16-5-4-15-18(23-16)24(10-12-6-7-27-12)17(22-15)9-11-2-3-13(20)14(21)8-11;13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15;1-14-11(15-2,16-3)7-8-4-5-9(12)10(13)6-8;1-18-11(15)8-2-3-9(14(16)17)10(13-8)12-6-7-4-5-19-7;2*1-16-11(15)9-3-2-8(12)10(14-9)13-6-7-4-5-17-7;1-14-7(11)4-2-3-5(10(12)13)6(8)9-4;7-5-4(9(12)13)2-1-3(8-5)6(10)11;1-4-2-3-5(9(10)11)6(7)8-4;1-2-5-3-4-6-5/h2-10,13,15,21H,11-12,14,16-17H2,1H3;2*1-9,12,14,20H,10-11,13,15-16H2,(H,38,39);6-9,12,16H,10-11,13-14H2,1-5H3;2-5,8,12H,6-7,9-10H2,1H3;1-6H,7H2;4-6H,7H2,1-3H3;2-3,7H,4-6H2,1H3,(H,12,13);2*2-3,7H,4-6,12H2,1H3,(H,13,14);2-3H,1H3;1-2H,(H,10,11);2-3H,1H3;5H,2-4H2,1H3/t21-;2*20-;16-;12-;;;3*7-;;;;5-/m00000..000...1/s1
InChIKeyBONRZEQLSISPFQ-YLWXODQWSA-N
XLogP40.00
TPSA1005.28 Ų
H-Bond Donors8
H-Bond Acceptors73
Rotatable Bonds65
Heavy Atoms316
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004689.87
LogP ≤ 540.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1073

Analyze 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate?
The IUPAC name of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate (CID 157413268) is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate.
What is the SMILES notation for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate?
The canonical SMILES for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate is CC[C@@H]1CCO1.COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.COC(=O)c1ccc([N+](=O)[O-])c(Cl)n1.COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCO2)n1.COC(=O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2n1.COC(=O)c1ccc2nc(Cc3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c3)n(C[C@@H]3CCO3)c2n1.COC(=O)c1ccc2nc(Cc3ccc(Br)c(F)c3)n(C[C@@H]3CCO3)c2n1.COC(Cc1ccc(Br)c(F)c1)(OC)OC.Cc1ccc([N+](=O)[O-])c(Cl)n1.Fc1cc(Cl)ccc1COc1cccc(Br)n1.O=C(O)c1ccc([N+](=O)[O-])c(Cl)n1.O=C(O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2n1.O=C(O)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccc(Cl)cc5F)n4)c(F)c3)n(C[C@@H]3CCO3)c2n1.
What is the InChIKey of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate?
The InChIKey is BONRZEQLSISPFQ-YLWXODQWSA-N. The full InChI is InChI=1S/C31H25ClF2N4O4.2C30H23ClF2N4O4.C25H29BFN3O5.C19H17BrFN3O3.C12H8BrClFNO.C11H14BrFO3.C11H13N3O5.2C11H15N3O3.C7H5ClN2O4.C6H3ClN2O4.C6H5ClN2O2.C5H10O/c1-40-31(39)27-10-9-26-30(37-27)38(16-21-11-12-41-21)28(35-26)14-18-5-8-22(24(34)13-18)25-3-2-4-29(36-25)42-17-19-6-7-20(32)15-23(19)33;2*31-19-6-5-18(22(32)14-19)16-41-28-3-1-2-24(35-28)21-7-4-17(12-23(21)33)13-27-34-25-8-9-26(30(38)39)36-29(25)37(27)15-20-10-11-40-20;1-24(2)25(3,4)35-26(34-24)17-7-6-15(12-18(17)27)13-21-28-19-8-9-20(23(31)32-5)29-22(19)30(21)14-16-10-11-33-16;1-26-19(25)16-5-4-15-18(23-16)24(10-12-6-7-27-12)17(22-15)9-11-2-3-13(20)14(21)8-11;13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15;1-14-11(15-2,16-3)7-8-4-5-9(12)10(13)6-8;1-18-11(15)8-2-3-9(14(16)17)10(13-8)12-6-7-4-5-19-7;2*1-16-11(15)9-3-2-8(12)10(14-9)13-6-7-4-5-17-7;1-14-7(11)4-2-3-5(10(12)13)6(8)9-4;7-5-4(9(12)13)2-1-3(8-5)6(10)11;1-4-2-3-5(9(10)11)6(7)8-4;1-2-5-3-4-6-5/h2-10,13,15,21H,11-12,14,16-17H2,1H3;2*1-9,12,14,20H,10-11,13,15-16H2,(H,38,39);6-9,12,16H,10-11,13-14H2,1-5H3;2-5,8,12H,6-7,9-10H2,1H3;1-6H,7H2;4-6H,7H2,1-3H3;2-3,7H,4-6H2,1H3,(H,12,13);2*2-3,7H,4-6,12H2,1H3,(H,13,14);2-3H,1H3;1-2H,(H,10,11);2-3H,1H3;5H,2-4H2,1H3/t21-;2*20-;16-;12-;;;3*7-;;;;5-/m00000..000...1/s1.
What are the key properties of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate?
2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate has a molecular weight of 4689.87 g/mol, XLogP of 40.00, 65 rotatable bonds, 8 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;1-bromo-2-fluoro-4-(2,2,2-trimethoxyethyl)benzene;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid);2-chloro-6-methyl-3-nitropyridine;6-chloro-5-nitropyridine-2-carboxylic acid;(2R)-2-ethyloxetane;bis(methyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate);methyl 2-[(4-bromo-3-fluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 6-chloro-5-nitropyridine-2-carboxylate;methyl 2-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate;methyl 5-nitro-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 157413268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).