bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate

C88H105Cl7N18O9 — CID 160731179

About bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate

bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate (PubChem CID 160731179) has the molecular formula C88H105Cl7N18O9 and a molecular weight of 1807.10 g/mol. Its IUPAC name is bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate.

Molecular Properties

• Compound Name: bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate
• PubChem CID: 160731179
• Molecular Formula: C88H105Cl7N18O9
• Molecular Weight: 1807.10 g/mol
• Exact Mass: 1802.61
• IUPAC Name: bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate
• SMILES: CC(C#N)c1ccc(Cl)nc1.COCCNc1ccc(C(C)C#N)cn1.COCCNc1ccc(C(C)C(=O)CCc2cc(C)nn2-c2cccc(Cl)c2)cn1.COCCNc1ccc(C(C)C(=O)O)cn1.COCCNc1ccc(C(C)C(=O)OC)cn1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.ClCc1ccc(Cl)nc1.ClCc1ccc(Cl)nc1
• InChI: InChI=1S/C23H27ClN4O2.C12H18N2O3.C11H12ClN3.C11H15N3O.C11H16N2O3.C8H7ClN2.2C6H5Cl2N/c1-16-13-21(28(27-16)20-6-4-5-19(24)14-20)8-9-22(29)17(2)18-7-10-23(26-15-18)25-11-12-30-3;1-9(12(15)17-3)10-4-5-11(14-8-10)13-6-7-16-2;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-9(7-12)10-3-4-11(14-8-10)13-5-6-15-2;1-8(11(14)15)9-3-4-10(13-7-9)12-5-6-16-2;1-6(4-10)7-2-3-8(9)11-5-7;2*7-3-5-1-2-6(8)9-4-5/h4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H,25,26);4-5,8-9H,6-7H2,1-3H3,(H,13,14);2-6H,7,13H2,1H3;3-4,8-9H,5-6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,12,13)(H,14,15);2-3,5-6H,1H3;2*1-2,4H,3H2
• InChIKey: RUIYWCSKGTUWPV-UHFFFAOYSA-N
• XLogP: 18.71
• TPSA: 365.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1807.10
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate?

The IUPAC name of bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate (CID 160731179) is bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate.

What is the SMILES notation for bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate?

The canonical SMILES for bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate is CC(C#N)c1ccc(Cl)nc1.COCCNc1ccc(C(C)C#N)cn1.COCCNc1ccc(C(C)C(=O)CCc2cc(C)nn2-c2cccc(Cl)c2)cn1.COCCNc1ccc(C(C)C(=O)O)cn1.COCCNc1ccc(C(C)C(=O)OC)cn1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.ClCc1ccc(Cl)nc1.ClCc1ccc(Cl)nc1.

What is the InChIKey of bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate?

The InChIKey is RUIYWCSKGTUWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2.C12H18N2O3.C11H12ClN3.C11H15N3O.C11H16N2O3.C8H7ClN2.2C6H5Cl2N/c1-16-13-21(28(27-16)20-6-4-5-19(24)14-20)8-9-22(29)17(2)18-7-10-23(26-15-18)25-11-12-30-3;1-9(12(15)17-3)10-4-5-11(14-8-10)13-6-7-16-2;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-9(7-12)10-3-4-11(14-8-10)13-5-6-15-2;1-8(11(14)15)9-3-4-10(13-7-9)12-5-6-16-2;1-6(4-10)7-2-3-8(9)11-5-7;2*7-3-5-1-2-6(8)9-4-5/h4-7,10,13-15,17H,8-9,11-12H2,1-3H3,(H,25,26);4-5,8-9H,6-7H2,1-3H3,(H,13,14);2-6H,7,13H2,1H3;3-4,8-9H,5-6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,12,13)(H,14,15);2-3,5-6H,1H3;2*1-2,4H,3H2.

What are the key properties of bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate?

bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate has a molecular weight of 1807.10 g/mol, XLogP of 18.71, 32 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-chloro-5-(chloromethyl)pyridine);[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-(2-methoxyethylamino)-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanenitrile;2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoic acid;methyl 2-[6-(2-methoxyethylamino)-3-pyridinyl]propanoate is sourced from PubChem (CID 160731179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).