2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile

C133H159Cl3N20O13 — CID 159352847

About 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile

2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile (PubChem CID 159352847) has the molecular formula C133H159Cl3N20O13 and a molecular weight of 2352.22 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile
• PubChem CID: 159352847
• Molecular Formula: C133H159Cl3N20O13
• Molecular Weight: 2352.22 g/mol
• Exact Mass: 2349.15
• IUPAC Name: 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile
• SMILES: C.CC(=O)C(C)c1ccc(C#N)nc1.CC(=O)C(C)c1ccc(Cl)nc1.CC(=O)Cc1ccc(Cl)nc1.CC(C(=O)O)c1ccc(C#N)nc1.Cc1ccc(CCC(=O)C(C)c2ccc(C#N)nc2)c(N2CCC(C)CC2)n1.Cc1ccc(CCC(=O)C(C)c2ccc(C(=O)Cc3ccccc3)nc2)c(N2CCC(C)CC2)n1.Cc1ccc(CCC(=O)C(C)c2ccc(C(=O)O)nc2)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.O=C(O)Cc1ccc(Cl)nc1
• InChI: InChI=1S/C30H35N3O2.C23H28N4O.C23H29N3O3.C13H21N3.C10H10N2O.C9H10ClNO.C9H8N2O2.C8H8ClNO.C7H6ClNO2.CH4/c1-21-15-17-33(18-16-21)30-25(10-9-22(2)32-30)12-14-28(34)23(3)26-11-13-27(31-20-26)29(35)19-24-7-5-4-6-8-24;1-16-10-12-27(13-11-16)23-19(5-4-17(2)26-23)7-9-22(28)18(3)20-6-8-21(14-24)25-15-20;1-15-10-12-26(13-11-15)22-18(5-4-16(2)25-22)7-9-21(27)17(3)19-6-8-20(23(28)29)24-14-19;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;1-7(8(2)13)9-3-4-10(5-11)12-6-9;1-6(7(2)12)8-3-4-9(10)11-5-8;1-6(9(12)13)7-2-3-8(4-10)11-5-7;1-6(11)4-7-2-3-8(9)10-5-7;8-6-2-1-5(4-9-6)3-7(10)11;/h4-11,13,20-21,23H,12,14-19H2,1-3H3;4-6,8,15-16,18H,7,9-13H2,1-3H3;4-6,8,14-15,17H,7,9-13H2,1-3H3,(H,28,29);3-4,10H,5-9,14H2,1-2H3;3-4,6-7H,1-2H3;3-6H,1-2H3;2-3,5-6H,1H3,(H,12,13);2-3,5H,4H2,1H3;1-2,4H,3H2,(H,10,11);1H4
• InChIKey: LHNWRCUTLRZJDQ-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 496.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2352.22
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile?

The IUPAC name of 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile (CID 159352847) is 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile.

What is the SMILES notation for 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile?

The canonical SMILES for 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile is C.CC(=O)C(C)c1ccc(C#N)nc1.CC(=O)C(C)c1ccc(Cl)nc1.CC(=O)Cc1ccc(Cl)nc1.CC(C(=O)O)c1ccc(C#N)nc1.Cc1ccc(CCC(=O)C(C)c2ccc(C#N)nc2)c(N2CCC(C)CC2)n1.Cc1ccc(CCC(=O)C(C)c2ccc(C(=O)Cc3ccccc3)nc2)c(N2CCC(C)CC2)n1.Cc1ccc(CCC(=O)C(C)c2ccc(C(=O)O)nc2)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.O=C(O)Cc1ccc(Cl)nc1.

What is the InChIKey of 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile?

The InChIKey is LHNWRCUTLRZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2.C23H28N4O.C23H29N3O3.C13H21N3.C10H10N2O.C9H10ClNO.C9H8N2O2.C8H8ClNO.C7H6ClNO2.CH4/c1-21-15-17-33(18-16-21)30-25(10-9-22(2)32-30)12-14-28(34)23(3)26-11-13-27(31-20-26)29(35)19-24-7-5-4-6-8-24;1-16-10-12-27(13-11-16)23-19(5-4-17(2)26-23)7-9-22(28)18(3)20-6-8-21(14-24)25-15-20;1-15-10-12-26(13-11-15)22-18(5-4-16(2)25-22)7-9-21(27)17(3)19-6-8-20(23(28)29)24-14-19;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;1-7(8(2)13)9-3-4-10(5-11)12-6-9;1-6(7(2)12)8-3-4-9(10)11-5-8;1-6(9(12)13)7-2-3-8(4-10)11-5-7;1-6(11)4-7-2-3-8(9)10-5-7;8-6-2-1-5(4-9-6)3-7(10)11;/h4-11,13,20-21,23H,12,14-19H2,1-3H3;4-6,8,15-16,18H,7,9-13H2,1-3H3;4-6,8,14-15,17H,7,9-13H2,1-3H3,(H,28,29);3-4,10H,5-9,14H2,1-2H3;3-4,6-7H,1-2H3;3-6H,1-2H3;2-3,5-6H,1H3,(H,12,13);2-3,5H,4H2,1H3;1-2,4H,3H2,(H,10,11);1H4.

What are the key properties of 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile?

2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile has a molecular weight of 2352.22 g/mol, XLogP of 25.14, 34 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-3-oxopentan-2-yl]pyridine-2-carboxylic acid;1-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-4-[6-(2-phenylacetyl)-3-pyridinyl]pentan-3-one;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 159352847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).