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

C55H50Br2Cl4N8O5 — CID 159520074

About 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

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 (PubChem CID 159520074) has the molecular formula C55H50Br2Cl4N8O5 and a molecular weight of 1204.68 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159520074
• Molecular Formula: C55H50Br2Cl4N8O5
• Molecular Weight: 1204.68 g/mol
• Exact Mass: 1200.10
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)c1ccc(C=O)cn1.Clc1ccc(CNc2ccc(Br)cn2)cc1.Nc1ccc(Br)cn1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1
• InChI: InChI=1S/C18H19ClN2O3.C13H11ClN2O.C12H10BrClN2.C7H5ClO.C5H5BrN2/c1-18(2,3)24-17(23)21(11-13-4-7-15(19)8-5-13)16-9-6-14(12-22)10-20-16;14-12-4-1-10(2-5-12)7-15-13-6-3-11(9-17)8-16-13;13-10-3-6-12(16-8-10)15-7-9-1-4-11(14)5-2-9;8-7-3-1-6(5-9)2-4-7;6-4-1-2-5(7)8-3-4/h4-10,12H,11H2,1-3H3;1-6,8-9H,7H2,(H,15,16);1-6,8H,7H2,(H,15,16);1-5H;1-3H,(H2,7,8)
• InChIKey: MBRUJKDSMCEUOB-UHFFFAOYSA-N
• XLogP: 15.34
• TPSA: 182.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.68
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)c1ccc(C=O)cn1.Clc1ccc(CNc2ccc(Br)cn2)cc1.Nc1ccc(Br)cn1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1.

What is the InChIKey of 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?

The InChIKey is MBRUJKDSMCEUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3.C13H11ClN2O.C12H10BrClN2.C7H5ClO.C5H5BrN2/c1-18(2,3)24-17(23)21(11-13-4-7-15(19)8-5-13)16-9-6-14(12-22)10-20-16;14-12-4-1-10(2-5-12)7-15-13-6-3-11(9-17)8-16-13;13-10-3-6-12(16-8-10)15-7-9-1-4-11(14)5-2-9;8-7-3-1-6(5-9)2-4-7;6-4-1-2-5(7)8-3-4/h4-10,12H,11H2,1-3H3;1-6,8-9H,7H2,(H,15,16);1-6,8H,7H2,(H,15,16);1-5H;1-3H,(H2,7,8).

What are the key properties of 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?

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 has a molecular weight of 1204.68 g/mol, XLogP of 15.34, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159520074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).