3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine

C89H97BrClF15N14O17 — CID 157247657

IUPAC3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine
SMILESCCC(Br)CC.CCC(CC)n1cnc2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)cc21.CCOC(OCC)OCC.COc1cc(OC(F)(F)F)ccc1-c1nc(Cl)c([N+](=O)[O-])cc1C.COc1cc(OC(F)(F)F)ccc1-c1nc(N)c(N)cc1C.COc1cc(OC(F)(F)F)ccc1-c1nc(N)c([N+](=O)[O-])cc1C.COc1cc(OC(F)(F)F)ccc1-c1nc2nc[nH]c2cc1C
InChIInChI=1S/C20H22F3N3O2.C15H12F3N3O2.C14H10ClF3N2O4.C14H12F3N3O4.C14H14F3N3O2.C7H16O3.C5H11Br/c1-5-13(6-2)26-11-24-19-16(26)9-12(3)18(25-19)15-8-7-14(10-17(15)27-4)28-20(21,22)23;1-8-5-11-14(20-7-19-11)21-13(8)10-4-3-9(6-12(10)22-2)23-15(16,17)18;1-7-5-10(20(21)22)13(15)19-12(7)9-4-3-8(6-11(9)23-2)24-14(16,17)18;1-7-5-10(20(21)22)13(18)19-12(7)9-4-3-8(6-11(9)23-2)24-14(15,16)17;1-7-5-10(18)13(19)20-12(7)9-4-3-8(6-11(9)21-2)22-14(15,16)17;1-4-8-7(9-5-2)10-6-3;1-3-5(6)4-2/h7-11,13H,5-6H2,1-4H3;3-7H,1-2H3,(H,19,20,21);3-6H,1-2H3;3-6H,1-2H3,(H2,18,19);3-6H,18H2,1-2H3,(H2,19,20);7H,4-6H2,1-3H3;5H,3-4H2,1-2H3
InChIKeyAVYXEYFKAYLMAT-UHFFFAOYSA-N
MW2035.16 g/mol
LogP24.57
Rot. Bonds28

About 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine

3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine (PubChem CID 157247657) has the molecular formula C89H97BrClF15N14O17 and a molecular weight of 2035.16 g/mol. Its IUPAC name is 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine
PubChem CID157247657
Molecular FormulaC89H97BrClF15N14O17
Molecular Weight2035.16 g/mol
Exact Mass2032.58
IUPAC Name3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine
SMILESCCC(Br)CC.CCC(CC)n1cnc2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)cc21.CCOC(OCC)OCC.COc1cc(OC(F)(F)F)ccc1-c1nc(Cl)c([N+](=O)[O-])cc1C.COc1cc(OC(F)(F)F)ccc1-c1nc(N)c(N)cc1C.COc1cc(OC(F)(F)F)ccc1-c1nc(N)c([N+](=O)[O-])cc1C.COc1cc(OC(F)(F)F)ccc1-c1nc2nc[nH]c2cc1C
InChIInChI=1S/C20H22F3N3O2.C15H12F3N3O2.C14H10ClF3N2O4.C14H12F3N3O4.C14H14F3N3O2.C7H16O3.C5H11Br/c1-5-13(6-2)26-11-24-19-16(26)9-12(3)18(25-19)15-8-7-14(10-17(15)27-4)28-20(21,22)23;1-8-5-11-14(20-7-19-11)21-13(8)10-4-3-9(6-12(10)22-2)23-15(16,17)18;1-7-5-10(20(21)22)13(15)19-12(7)9-4-3-8(6-11(9)23-2)24-14(16,17)18;1-7-5-10(20(21)22)13(18)19-12(7)9-4-3-8(6-11(9)23-2)24-14(15,16)17;1-7-5-10(18)13(19)20-12(7)9-4-3-8(6-11(9)21-2)22-14(15,16)17;1-4-8-7(9-5-2)10-6-3;1-3-5(6)4-2/h7-11,13H,5-6H2,1-4H3;3-7H,1-2H3,(H,19,20,21);3-6H,1-2H3;3-6H,1-2H3,(H2,18,19);3-6H,18H2,1-2H3,(H2,19,20);7H,4-6H2,1-3H3;5H,3-4H2,1-2H3
InChIKeyAVYXEYFKAYLMAT-UHFFFAOYSA-N
XLogP24.57
TPSA395.28 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002035.16
LogP ≤ 524.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine?
The IUPAC name of 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine (CID 157247657) is 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine?
The canonical SMILES for 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine is CCC(Br)CC.CCC(CC)n1cnc2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)cc21.CCOC(OCC)OCC.COc1cc(OC(F)(F)F)ccc1-c1nc(Cl)c([N+](=O)[O-])cc1C.COc1cc(OC(F)(F)F)ccc1-c1nc(N)c(N)cc1C.COc1cc(OC(F)(F)F)ccc1-c1nc(N)c([N+](=O)[O-])cc1C.COc1cc(OC(F)(F)F)ccc1-c1nc2nc[nH]c2cc1C.
What is the InChIKey of 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine?
The InChIKey is AVYXEYFKAYLMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2.C15H12F3N3O2.C14H10ClF3N2O4.C14H12F3N3O4.C14H14F3N3O2.C7H16O3.C5H11Br/c1-5-13(6-2)26-11-24-19-16(26)9-12(3)18(25-19)15-8-7-14(10-17(15)27-4)28-20(21,22)23;1-8-5-11-14(20-7-19-11)21-13(8)10-4-3-9(6-12(10)22-2)23-15(16,17)18;1-7-5-10(20(21)22)13(15)19-12(7)9-4-3-8(6-11(9)23-2)24-14(16,17)18;1-7-5-10(20(21)22)13(18)19-12(7)9-4-3-8(6-11(9)23-2)24-14(15,16)17;1-7-5-10(18)13(19)20-12(7)9-4-3-8(6-11(9)21-2)22-14(15,16)17;1-4-8-7(9-5-2)10-6-3;1-3-5(6)4-2/h7-11,13H,5-6H2,1-4H3;3-7H,1-2H3,(H,19,20,21);3-6H,1-2H3;3-6H,1-2H3,(H2,18,19);3-6H,18H2,1-2H3,(H2,19,20);7H,4-6H2,1-3H3;5H,3-4H2,1-2H3.
What are the key properties of 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine?
3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine has a molecular weight of 2035.16 g/mol, XLogP of 24.57, 28 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopentane;2-chloro-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridine;diethoxymethoxyethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1H-imidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-3-nitropyridin-2-amine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylimidazo[4,5-b]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 157247657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).