methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline

C80H64ClF20N15O21 — CID 165042201

IUPACmethyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(Nc2cccc(OC(F)(F)C(F)F)c2)c(N)c1.COC(=O)c1cnc(Nc2cccc(OC(F)(F)C(F)F)c2)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)[nH]c(=O)n2-c1cccc(OC(F)(F)C(F)F)c1.COC(=O)c1cnc2c(c1)n(C(C)C)c(=O)n2-c1cccc(OC(F)(F)C(F)F)c1.Nc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C19H17F4N3O4.C16H11F4N3O4.C15H11F4N3O5.C15H13F4N3O3.C8H7F4NO.C7H5ClN2O4/c1-10(2)25-14-7-11(16(27)29-3)9-24-15(14)26(18(25)28)12-5-4-6-13(8-12)30-19(22,23)17(20)21;1-26-13(24)8-5-11-12(21-7-8)23(15(25)22-11)9-3-2-4-10(6-9)27-16(19,20)14(17)18;1-26-13(23)8-5-11(22(24)25)12(20-7-8)21-9-3-2-4-10(6-9)27-15(18,19)14(16)17;1-24-13(23)8-5-11(20)12(21-7-8)22-9-3-2-4-10(6-9)25-15(18,19)14(16)17;9-7(10)8(11,12)14-6-3-1-2-5(13)4-6;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h4-10,17H,1-3H3;2-7,14H,1H3,(H,22,25);2-7,14H,1H3,(H,20,21);2-7,14H,20H2,1H3,(H,21,22);1-4,7H,13H2;2-3H,1H3
InChIKeyOHNDCPJCPHWGES-UHFFFAOYSA-N
MW1986.89 g/mol
LogP17.65
Rot. Bonds29

About methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline

methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline (PubChem CID 165042201) has the molecular formula C80H64ClF20N15O21 and a molecular weight of 1986.89 g/mol. Its IUPAC name is methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline.

Molecular Properties

Compound Namemethyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline
PubChem CID165042201
Molecular FormulaC80H64ClF20N15O21
Molecular Weight1986.89 g/mol
Exact Mass1985.38
IUPAC Namemethyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline
SMILESCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(Nc2cccc(OC(F)(F)C(F)F)c2)c(N)c1.COC(=O)c1cnc(Nc2cccc(OC(F)(F)C(F)F)c2)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)[nH]c(=O)n2-c1cccc(OC(F)(F)C(F)F)c1.COC(=O)c1cnc2c(c1)n(C(C)C)c(=O)n2-c1cccc(OC(F)(F)C(F)F)c1.Nc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C19H17F4N3O4.C16H11F4N3O4.C15H11F4N3O5.C15H13F4N3O3.C8H7F4NO.C7H5ClN2O4/c1-10(2)25-14-7-11(16(27)29-3)9-24-15(14)26(18(25)28)12-5-4-6-13(8-12)30-19(22,23)17(20)21;1-26-13(24)8-5-11-12(21-7-8)23(15(25)22-11)9-3-2-4-10(6-9)27-16(19,20)14(17)18;1-26-13(23)8-5-11(22(24)25)12(20-7-8)21-9-3-2-4-10(6-9)27-15(18,19)14(16)17;1-24-13(23)8-5-11(20)12(21-7-8)22-9-3-2-4-10(6-9)25-15(18,19)14(16)17;9-7(10)8(11,12)14-6-3-1-2-5(13)4-6;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h4-10,17H,1-3H3;2-7,14H,1H3,(H,22,25);2-7,14H,1H3,(H,20,21);2-7,14H,20H2,1H3,(H,21,22);1-4,7H,13H2;2-3H,1H3
InChIKeyOHNDCPJCPHWGES-UHFFFAOYSA-N
XLogP17.65
TPSA469.20 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001986.89
LogP ≤ 517.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline?
The IUPAC name of methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline (CID 165042201) is methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline.
What is the SMILES notation for methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline?
The canonical SMILES for methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline is COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(Nc2cccc(OC(F)(F)C(F)F)c2)c(N)c1.COC(=O)c1cnc(Nc2cccc(OC(F)(F)C(F)F)c2)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)[nH]c(=O)n2-c1cccc(OC(F)(F)C(F)F)c1.COC(=O)c1cnc2c(c1)n(C(C)C)c(=O)n2-c1cccc(OC(F)(F)C(F)F)c1.Nc1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline?
The InChIKey is OHNDCPJCPHWGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O4.C16H11F4N3O4.C15H11F4N3O5.C15H13F4N3O3.C8H7F4NO.C7H5ClN2O4/c1-10(2)25-14-7-11(16(27)29-3)9-24-15(14)26(18(25)28)12-5-4-6-13(8-12)30-19(22,23)17(20)21;1-26-13(24)8-5-11-12(21-7-8)23(15(25)22-11)9-3-2-4-10(6-9)27-16(19,20)14(17)18;1-26-13(23)8-5-11(22(24)25)12(20-7-8)21-9-3-2-4-10(6-9)27-15(18,19)14(16)17;1-24-13(23)8-5-11(20)12(21-7-8)22-9-3-2-4-10(6-9)25-15(18,19)14(16)17;9-7(10)8(11,12)14-6-3-1-2-5(13)4-6;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h4-10,17H,1-3H3;2-7,14H,1H3,(H,22,25);2-7,14H,1H3,(H,20,21);2-7,14H,20H2,1H3,(H,21,22);1-4,7H,13H2;2-3H,1H3.
What are the key properties of methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline?
methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline has a molecular weight of 1986.89 g/mol, XLogP of 17.65, 29 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-nitro-6-[3-(1,1,2,2-tetrafluoroethoxy)anilino]pyridine-3-carboxylate;methyl 2-oxo-1-propan-2-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-oxo-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylate;3-(1,1,2,2-tetrafluoroethoxy)aniline is sourced from PubChem (CID 165042201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).