5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde

C70H73Br2F3N10O5 — CID 159759740

About 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde

5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde (PubChem CID 159759740) has the molecular formula C70H73Br2F3N10O5 and a molecular weight of 1351.22 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde.

Molecular Properties

• Compound Name: 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde
• PubChem CID: 159759740
• Molecular Formula: C70H73Br2F3N10O5
• Molecular Weight: 1351.22 g/mol
• Exact Mass: 1348.41
• IUPAC Name: 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde
• SMILES: Cc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(C)n2)cc1.Cc1ccc(CNc2ccc(Br)c(C)n2)cc1.Cc1ccc(CNc2ccc(C=O)c(C)n2)cc1.Cc1nc(N)ccc1Br.O=Cc1ccc(C(F)(F)F)cc1.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C20H24N2O3.C15H16N2O.C14H15BrN2.C8H5F3O.C7H6N2.C6H7BrN2/c1-14-6-8-16(9-7-14)12-22(19(24)25-20(3,4)5)18-11-10-17(13-23)15(2)21-18;1-11-3-5-13(6-4-11)9-16-15-8-7-14(10-18)12(2)17-15;1-10-3-5-12(6-4-10)9-16-14-8-7-13(15)11(2)17-14;9-8(10,11)7-3-1-6(5-12)2-4-7;1-2-6-3-5-9-7(6)8-4-1;1-4-5(7)2-3-6(8)9-4/h6-11,13H,12H2,1-5H3;3-8,10H,9H2,1-2H3,(H,16,17);3-8H,9H2,1-2H3,(H,16,17);1-5H;1-5H,(H,8,9);2-3H,1H3,(H2,8,9)
• InChIKey: NESKQXIFXRBEPX-UHFFFAOYSA-N
• XLogP: 17.46
• TPSA: 211.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1351.22
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde?

The IUPAC name of 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde (CID 159759740) is 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde.

What is the SMILES notation for 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde?

The canonical SMILES for 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde is Cc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(C)n2)cc1.Cc1ccc(CNc2ccc(Br)c(C)n2)cc1.Cc1ccc(CNc2ccc(C=O)c(C)n2)cc1.Cc1nc(N)ccc1Br.O=Cc1ccc(C(F)(F)F)cc1.c1cnc2[nH]ccc2c1.

What is the InChIKey of 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde?

The InChIKey is NESKQXIFXRBEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.C15H16N2O.C14H15BrN2.C8H5F3O.C7H6N2.C6H7BrN2/c1-14-6-8-16(9-7-14)12-22(19(24)25-20(3,4)5)18-11-10-17(13-23)15(2)21-18;1-11-3-5-13(6-4-11)9-16-15-8-7-14(10-18)12(2)17-15;1-10-3-5-12(6-4-10)9-16-14-8-7-13(15)11(2)17-14;9-8(10,11)7-3-1-6(5-12)2-4-7;1-2-6-3-5-9-7(6)8-4-1;1-4-5(7)2-3-6(8)9-4/h6-11,13H,12H2,1-5H3;3-8,10H,9H2,1-2H3,(H,16,17);3-8H,9H2,1-2H3,(H,16,17);1-5H;1-5H,(H,8,9);2-3H,1H3,(H2,8,9).

What are the key properties of 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde?

5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde has a molecular weight of 1351.22 g/mol, XLogP of 17.46, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 159759740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).