tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine

C72H60F21N15O9 — CID 157333021

IUPACtert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)nc1)c1ccc(C=O)c(F)n1.COC(=O)c1ccc(F)nc1F.COC(=O)c1ccc(NCc2ccc(C(F)(F)F)nc2)nc1F.NCc1ccc(C(F)(F)F)nc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1F.OCc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1F
InChIInChI=1S/C18H17F4N3O3.C14H11F4N3O2.C13H11F4N3O.C13H9F4N3O.C7H7F3N2.C7H5F2NO2/c1-17(2,3)28-16(27)25(14-7-5-12(10-26)15(19)24-14)9-11-4-6-13(23-8-11)18(20,21)22;1-23-13(22)9-3-5-11(21-12(9)15)20-7-8-2-4-10(19-6-8)14(16,17)18;2*14-12-9(7-21)2-4-11(20-12)19-6-8-1-3-10(18-5-8)13(15,16)17;8-7(9,10)6-2-1-5(3-11)4-12-6;1-12-7(11)4-2-3-5(8)10-6(4)9/h4-8,10H,9H2,1-3H3;2-6H,7H2,1H3,(H,20,21);1-5,21H,6-7H2,(H,19,20);1-5,7H,6H2,(H,19,20);1-2,4H,3,11H2;2-3H,1H3
InChIKeyBFMWWLLQXYQAOK-UHFFFAOYSA-N
MW1678.33 g/mol
LogP15.93
Rot. Bonds18

About tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine

tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 157333021) has the molecular formula C72H60F21N15O9 and a molecular weight of 1678.33 g/mol. Its IUPAC name is tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Nametert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID157333021
Molecular FormulaC72H60F21N15O9
Molecular Weight1678.33 g/mol
Exact Mass1677.44
IUPAC Nametert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)nc1)c1ccc(C=O)c(F)n1.COC(=O)c1ccc(F)nc1F.COC(=O)c1ccc(NCc2ccc(C(F)(F)F)nc2)nc1F.NCc1ccc(C(F)(F)F)nc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1F.OCc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1F
InChIInChI=1S/C18H17F4N3O3.C14H11F4N3O2.C13H11F4N3O.C13H9F4N3O.C7H7F3N2.C7H5F2NO2/c1-17(2,3)28-16(27)25(14-7-5-12(10-26)15(19)24-14)9-11-4-6-13(23-8-11)18(20,21)22;1-23-13(22)9-3-5-11(21-12(9)15)20-7-8-2-4-10(19-6-8)14(16,17)18;2*14-12-9(7-21)2-4-11(20-12)19-6-8-1-3-10(18-5-8)13(15,16)17;8-7(9,10)6-2-1-5(3-11)4-12-6;1-12-7(11)4-2-3-5(8)10-6(4)9/h4-8,10H,9H2,1-3H3;2-6H,7H2,1H3,(H,20,21);1-5,21H,6-7H2,(H,19,20);1-5,7H,6H2,(H,19,20);1-2,4H,3,11H2;2-3H,1H3
InChIKeyBFMWWLLQXYQAOK-UHFFFAOYSA-N
XLogP15.93
TPSA327.52 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001678.33
LogP ≤ 515.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine with MolForge

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Related Compounds

Bis(3-pyridinemethanol-N(1))bis(2-((3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylato-N(2),O(3))copper
CID 148128
Pyridin-3-ylmethyl 5-[5-[(2-aminophenyl)carbamoyl]pyridin-2-yl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate;2,2,2-trifluoroacetic acid
CID 69082675
hexan-1-amine;N-hexyl-6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxamide;6-[5-hydroxy-3-pyridin-3-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]pyridine-3-carboxylic acid
CID 158152900
Ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 158865232
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
2-(Acetamidomethyl)pyridine-4-carboxylic acid;6-(acetamidomethyl)pyridine-3-carboxylic acid;bis(acetyl 2,2,2-trifluoroacetate);2-(aminomethyl)pyridine-4-carboxylic acid;6-(aminomethyl)pyridine-3-carboxylic acid;2-isocyanopyridine-4-carboxylic acid;6-isocyanopyridine-3-carboxylic acid;methanol
CID 160927913
2-Aminopyridine-3-carboxylic acid;2-(1-bromoethyl)-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethyl-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethylpyrido[2,3-d][1,3]oxazin-4-one;3-(4-fluorophenyl)-2-[1-(methylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;1-[1-[3-(4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 160981598
Tert-butyl 4-[3-acetyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[1-(propan-2-ylamino)ethyl]-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 161979217
Diiodomethane;ethyl 6-[2-(aminomethyl)morpholin-4-yl]pyridine-3-carboxylate;ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;methane;2,2,2-trifluoroacetic acid
CID 162167951
2-(2,6-Difluoroanilino)pyridine-3-carboxylate;tris(2-(2,6-difluoroanilino)pyridine-3-carboxylic acid);2-(2,6-difluoroanilino)pyridin-1-ium-3-carboxylic acid
CID 139144737
pyridin-3-ylmethyl (1R,4R)-5-[5-[(2-aminophenyl)carbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.2]octane-2-carboxylate;2,2,2-trifluoroacetic acid
CID 16663149
Bis(3-pyridinemethanol-kappaN1)bis[2-[[3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylato-kappaO3]copper
CID 146014585

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 157333021) is tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine is CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)nc1)c1ccc(C=O)c(F)n1.COC(=O)c1ccc(F)nc1F.COC(=O)c1ccc(NCc2ccc(C(F)(F)F)nc2)nc1F.NCc1ccc(C(F)(F)F)nc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1F.OCc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1F.
What is the InChIKey of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is BFMWWLLQXYQAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O3.C14H11F4N3O2.C13H11F4N3O.C13H9F4N3O.C7H7F3N2.C7H5F2NO2/c1-17(2,3)28-16(27)25(14-7-5-12(10-26)15(19)24-14)9-11-4-6-13(23-8-11)18(20,21)22;1-23-13(22)9-3-5-11(21-12(9)15)20-7-8-2-4-10(19-6-8)14(16,17)18;2*14-12-9(7-21)2-4-11(20-12)19-6-8-1-3-10(18-5-8)13(15,16)17;8-7(9,10)6-2-1-5(3-11)4-12-6;1-12-7(11)4-2-3-5(8)10-6(4)9/h4-8,10H,9H2,1-3H3;2-6H,7H2,1H3,(H,20,21);1-5,21H,6-7H2,(H,19,20);1-5,7H,6H2,(H,19,20);1-2,4H,3,11H2;2-3H,1H3.
What are the key properties of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine?
tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 1678.33 g/mol, XLogP of 15.93, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;[2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]methanol;methyl 2,6-difluoropyridine-3-carboxylate;methyl 2-fluoro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxylate;[6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 157333021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).