5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine

C74H64BrCl10N12O5+ — CID 157167233

About 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine

5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157167233) has the molecular formula C74H64BrCl10N12O5+ and a molecular weight of 1635.84 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157167233
• Molecular Formula: C74H64BrCl10N12O5+
• Molecular Weight: 1635.84 g/mol
• Exact Mass: 1629.12
• IUPAC Name: 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(C)(C)OC(=O)[n+]1c(NCc2ccc(Cl)cc2)ccc(C=O)c1Cl.Clc1ccc(CNc2ccc(Br)c(Cl)n2)cc1.Clc1ccc(CNc2cccc(Cl)n2)cc1.Nc1cccc(Cl)n1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1Cl.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C18H18Cl2N2O3.C13H10Cl2N2O.C12H9BrCl2N2.C12H10Cl2N2.C7H5ClO.C7H6N2.C5H5ClN2/c1-18(2,3)25-17(24)22-15(9-6-13(11-23)16(22)20)21-10-12-4-7-14(19)8-5-12;14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12;13-10-5-6-11(17-12(10)15)16-7-8-1-3-9(14)4-2-8;13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(14)16-12;8-7-3-1-6(5-9)2-4-7;1-2-6-3-5-9-7(6)8-4-1;6-4-2-1-3-5(7)8-4/h4-9,11H,10H2,1-3H3;1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-5H;1-5H,(H,8,9);1-3H,(H2,7,8)/p+1
• InChIKey: XMUFFHSABYXQDY-UHFFFAOYSA-O
• XLogP: 22.10
• TPSA: 235.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1635.84
LogP ≤ 5	22.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine (CID 157167233) is 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine is CC(C)(C)OC(=O)[n+]1c(NCc2ccc(Cl)cc2)ccc(C=O)c1Cl.Clc1ccc(CNc2ccc(Br)c(Cl)n2)cc1.Clc1ccc(CNc2cccc(Cl)n2)cc1.Nc1cccc(Cl)n1.O=Cc1ccc(Cl)cc1.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1Cl.c1cnc2[nH]ccc2c1.

What is the InChIKey of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is XMUFFHSABYXQDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18Cl2N2O3.C13H10Cl2N2O.C12H9BrCl2N2.C12H10Cl2N2.C7H5ClO.C7H6N2.C5H5ClN2/c1-18(2,3)25-17(24)22-15(9-6-13(11-23)16(22)20)21-10-12-4-7-14(19)8-5-12;14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12;13-10-5-6-11(17-12(10)15)16-7-8-1-3-9(14)4-2-8;13-10-6-4-9(5-7-10)8-15-12-3-1-2-11(14)16-12;8-7-3-1-6(5-9)2-4-7;1-2-6-3-5-9-7(6)8-4-1;6-4-2-1-3-5(7)8-4/h4-9,11H,10H2,1-3H3;1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-5H;1-5H,(H,8,9);1-3H,(H2,7,8)/p+1.

What are the key properties of 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine?

5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1635.84 g/mol, XLogP of 22.10, 15 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;tert-butyl 2-chloro-6-[(4-chlorophenyl)methylamino]-3-formylpyridin-1-ium-1-carboxylate;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157167233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).