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

C116H140Cl7N23O11 — CID 161487411

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

2-chloro-5-(chloromethyl)pyridine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoic acid;methyl 2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoate (PubChem CID 161487411) has the molecular formula C116H140Cl7N23O11 and a molecular weight of 2280.72 g/mol. Its IUPAC name is 2-chloro-5-(chloromethyl)pyridine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoic acid;methyl 2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoate.

Molecular Properties

• Compound Name: 2-chloro-5-(chloromethyl)pyridine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoic acid;methyl 2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoate
• PubChem CID: 161487411
• Molecular Formula: C116H140Cl7N23O11
• Molecular Weight: 2280.72 g/mol
• Exact Mass: 2275.89
• IUPAC Name: 2-chloro-5-(chloromethyl)pyridine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoic acid;methyl 2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoate
• SMILES: CC(C#N)c1ccc(Cl)nc1.COCCN(C)c1ccc(C(C)C#N)cn1.COCCN(C)c1ccc(C(C)C(=O)CCc2cc(C)nn2-c2cccc(Cl)c2)cn1.COCCN(C)c1ccc(C(C)C(=O)O)cn1.COCCN(C)c1ccc(C(C)C(=O)OC)cn1.Cc1cc(CCC(=O)C(C)c2ccc(N(C)CCO)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.ClCc1ccc(Cl)nc1.N#CCc1ccc(Cl)nc1
• InChI: InChI=1S/C24H29ClN4O2.C23H27ClN4O2.C13H20N2O3.C12H17N3O.C12H18N2O3.C11H12ClN3.C8H7ClN2.C7H5ClN2.C6H5Cl2N/c1-17-14-22(29(27-17)21-7-5-6-20(25)15-21)9-10-23(30)18(2)19-8-11-24(26-16-19)28(3)12-13-31-4;1-16-13-21(28(26-16)20-6-4-5-19(24)14-20)8-9-22(30)17(2)18-7-10-23(25-15-18)27(3)11-12-29;1-10(13(16)18-4)11-5-6-12(14-9-11)15(2)7-8-17-3;1-10(8-13)11-4-5-12(14-9-11)15(2)6-7-16-3;1-9(12(15)16)10-4-5-11(13-8-10)14(2)6-7-17-3;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-6(4-10)7-2-3-8(9)11-5-7;8-7-2-1-6(3-4-9)5-10-7;7-3-5-1-2-6(8)9-4-5/h5-8,11,14-16,18H,9-10,12-13H2,1-4H3;4-7,10,13-15,17,29H,8-9,11-12H2,1-3H3;5-6,9-10H,7-8H2,1-4H3;4-5,9-10H,6-7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3,(H,15,16);2-6H,7,13H2,1H3;2-3,5-6H,1H3;1-2,5H,3H2;1-2,4H,3H2
• InChIKey: WFDPOVSYYOIERJ-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 425.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 41
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2280.72
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-chloro-5-(chloromethyl)pyridine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoic acid;methyl 2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoate (CID 161487411) is 2-chloro-5-(chloromethyl)pyridine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoic acid;methyl 2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoate.

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

The canonical SMILES for 2-chloro-5-(chloromethyl)pyridine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoic acid;methyl 2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoate is CC(C#N)c1ccc(Cl)nc1.COCCN(C)c1ccc(C(C)C#N)cn1.COCCN(C)c1ccc(C(C)C(=O)CCc2cc(C)nn2-c2cccc(Cl)c2)cn1.COCCN(C)c1ccc(C(C)C(=O)O)cn1.COCCN(C)c1ccc(C(C)C(=O)OC)cn1.Cc1cc(CCC(=O)C(C)c2ccc(N(C)CCO)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.ClCc1ccc(Cl)nc1.N#CCc1ccc(Cl)nc1.

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

The InChIKey is WFDPOVSYYOIERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2.C23H27ClN4O2.C13H20N2O3.C12H17N3O.C12H18N2O3.C11H12ClN3.C8H7ClN2.C7H5ClN2.C6H5Cl2N/c1-17-14-22(29(27-17)21-7-5-6-20(25)15-21)9-10-23(30)18(2)19-8-11-24(26-16-19)28(3)12-13-31-4;1-16-13-21(28(26-16)20-6-4-5-19(24)14-20)8-9-22(30)17(2)18-7-10-23(25-15-18)27(3)11-12-29;1-10(13(16)18-4)11-5-6-12(14-9-11)15(2)7-8-17-3;1-10(8-13)11-4-5-12(14-9-11)15(2)6-7-16-3;1-9(12(15)16)10-4-5-11(13-8-10)14(2)6-7-17-3;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-6(4-10)7-2-3-8(9)11-5-7;8-7-2-1-6(3-4-9)5-10-7;7-3-5-1-2-6(8)9-4-5/h5-8,11,14-16,18H,9-10,12-13H2,1-4H3;4-7,10,13-15,17,29H,8-9,11-12H2,1-3H3;5-6,9-10H,7-8H2,1-4H3;4-5,9-10H,6-7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3,(H,15,16);2-6H,7,13H2,1H3;2-3,5-6H,1H3;1-2,5H,3H2;1-2,4H,3H2.

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

2-chloro-5-(chloromethyl)pyridine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoic acid;methyl 2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoate has a molecular weight of 2280.72 g/mol, XLogP of 22.09, 41 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(chloromethyl)pyridine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]pentan-3-one;2-(6-chloro-3-pyridinyl)acetonitrile;2-(6-chloro-3-pyridinyl)propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanenitrile;2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoic acid;methyl 2-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]propanoate is sourced from PubChem (CID 161487411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).