5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde

C67H52BrCl5F15N15O5 — CID 160580129

IUPAC5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)nc1)c1ccc(C=O)c(Cl)n1.FC(F)(F)c1ccc(CNc2ccc(Br)c(Cl)n2)cn1.FC(F)(F)c1ccc(CNc2cccc(Cl)n2)cn1.Nc1cccc(Cl)n1.O=Cc1ccc(C(F)(F)F)nc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1Cl
InChIInChI=1S/C18H17ClF3N3O3.C13H9ClF3N3O.C12H8BrClF3N3.C12H9ClF3N3.C7H4F3NO.C5H5ClN2/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;14-12-9(7-21)2-4-11(20-12)19-6-8-1-3-10(18-5-8)13(15,16)17;13-8-2-4-10(20-11(8)14)19-6-7-1-3-9(18-5-7)12(15,16)17;13-10-2-1-3-11(19-10)18-7-8-4-5-9(17-6-8)12(14,15)16;8-7(9,10)6-2-1-5(4-12)3-11-6;6-4-2-1-3-5(7)8-4/h4-8,10H,9H2,1-3H3;1-5,7H,6H2,(H,19,20);1-5H,6H2,(H,19,20);1-6H,7H2,(H,18,19);1-4H;1-3H,(H2,7,8)
InChIKeyRBRCKQCAXBLJAP-UHFFFAOYSA-N
MW1689.39 g/mol
LogP19.99
Rot. Bonds15

About 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde

5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 160580129) has the molecular formula C67H52BrCl5F15N15O5 and a molecular weight of 1689.39 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID160580129
Molecular FormulaC67H52BrCl5F15N15O5
Molecular Weight1689.39 g/mol
Exact Mass1685.17
IUPAC Name5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)nc1)c1ccc(C=O)c(Cl)n1.FC(F)(F)c1ccc(CNc2ccc(Br)c(Cl)n2)cn1.FC(F)(F)c1ccc(CNc2cccc(Cl)n2)cn1.Nc1cccc(Cl)n1.O=Cc1ccc(C(F)(F)F)nc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1Cl
InChIInChI=1S/C18H17ClF3N3O3.C13H9ClF3N3O.C12H8BrClF3N3.C12H9ClF3N3.C7H4F3NO.C5H5ClN2/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;14-12-9(7-21)2-4-11(20-12)19-6-8-1-3-10(18-5-8)13(15,16)17;13-8-2-4-10(20-11(8)14)19-6-7-1-3-9(18-5-7)12(15,16)17;13-10-2-1-3-11(19-10)18-7-8-4-5-9(17-6-8)12(14,15)16;8-7(9,10)6-2-1-5(4-12)3-11-6;6-4-2-1-3-5(7)8-4/h4-8,10H,9H2,1-3H3;1-5,7H,6H2,(H,19,20);1-5H,6H2,(H,19,20);1-6H,7H2,(H,18,19);1-4H;1-3H,(H2,7,8)
InChIKeyRBRCKQCAXBLJAP-UHFFFAOYSA-N
XLogP19.99
TPSA271.76 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001689.39
LogP ≤ 519.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde with MolForge

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Related Compounds

(2-Amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 157412197
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-chloro-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 157953154
5-bromopyridin-2-amine;5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;methane;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
CID 158363593
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-chloro-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
CID 159621300
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-chloro-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 159625254
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-chloro-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 160802068
(2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 161191521
5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane
CID 158583220
5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chlorobenzaldehyde;6-[(2-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;6-fluoropyridin-2-amine
CID 159307731
6-(4-aminopiperidin-1-yl)pyridine-3-carboxamide;tert-butyl N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-4-propan-2-ylpiperazine-1-carboxamide;6-chloropyridine-3-carboxamide;1-propan-2-ylpiperazine;dihydrochloride
CID 159327396
CID 159452716
CID 159452716
5-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chlorobenzaldehyde;6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde
CID 159520074

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 160580129) is 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde is CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)nc1)c1ccc(C=O)c(Cl)n1.FC(F)(F)c1ccc(CNc2ccc(Br)c(Cl)n2)cn1.FC(F)(F)c1ccc(CNc2cccc(Cl)n2)cn1.Nc1cccc(Cl)n1.O=Cc1ccc(C(F)(F)F)nc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)nc2)nc1Cl.
What is the InChIKey of 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is RBRCKQCAXBLJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O3.C13H9ClF3N3O.C12H8BrClF3N3.C12H9ClF3N3.C7H4F3NO.C5H5ClN2/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;14-12-9(7-21)2-4-11(20-12)19-6-8-1-3-10(18-5-8)13(15,16)17;13-8-2-4-10(20-11(8)14)19-6-7-1-3-9(18-5-7)12(15,16)17;13-10-2-1-3-11(19-10)18-7-8-4-5-9(17-6-8)12(14,15)16;8-7(9,10)6-2-1-5(4-12)3-11-6;6-4-2-1-3-5(7)8-4/h4-8,10H,9H2,1-3H3;1-5,7H,6H2,(H,19,20);1-5H,6H2,(H,19,20);1-6H,7H2,(H,18,19);1-4H;1-3H,(H2,7,8).
What are the key properties of 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde?
5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 1689.39 g/mol, XLogP of 19.99, 15 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 160580129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).