ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium

C142H149ClCrF11N9O20 — CID 162155095

About ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium

ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium (PubChem CID 162155095) has the molecular formula C142H149ClCrF11N9O20 and a molecular weight of 2598.22 g/mol. Its IUPAC name is ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium.

Molecular Properties

• Compound Name: ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium
• PubChem CID: 162155095
• Molecular Formula: C142H149ClCrF11N9O20
• Molecular Weight: 2598.22 g/mol
• Exact Mass: 2595.98
• IUPAC Name: ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium
• SMILES: C.CC(=O)c1c(C)cccc1F.CCOC(=O)C1CCCN(C(=O)c2c(C)cccc2F)[C@H]1c1ccccc1.CCOC(=O)C1CCCN[C@H]1c1ccccc1.CCOC(=O)c1cccnc1-c1ccccc1.CCOC(=O)c1cccnc1Cl.Cc1cccc(F)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1.Cc1cccc(F)c1C(=O)N1CCCC(C(=O)O)C1c1ccccc1.Cc1cccc(F)c1C(=O)N1CCCC(CO)[C@@H]1c1ccccc1.Nc1cccc(C(F)(F)F)c1.O=[Cr](=O)=O
• InChI: InChI=1S/C27H24F4N2O2.C22H24FNO3.C20H20FNO3.C20H22FNO2.C14H19NO2.C14H13NO2.C9H9FO.C8H8ClNO2.C7H6F3N.CH4.Cr.3O/c1-17-8-5-14-22(28)23(17)26(35)33-15-7-13-21(24(33)18-9-3-2-4-10-18)25(34)32-20-12-6-11-19(16-20)27(29,30)31;1-3-27-22(26)17-12-8-14-24(20(17)16-10-5-4-6-11-16)21(25)19-15(2)9-7-13-18(19)23;1-13-7-5-11-16(21)17(13)19(23)22-12-6-10-15(20(24)25)18(22)14-8-3-2-4-9-14;1-14-7-5-11-17(21)18(14)20(24)22-12-6-10-16(13-23)19(22)15-8-3-2-4-9-15;2*1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11;1-6-4-3-5-8(10)9(6)7(2)11;1-2-12-8(11)6-4-3-5-10-7(6)9;8-7(9,10)5-2-1-3-6(11)4-5;;;;;/h2-6,8-12,14,16,21,24H,7,13,15H2,1H3,(H,32,34);4-7,9-11,13,17,20H,3,8,12,14H2,1-2H3;2-5,7-9,11,15,18H,6,10,12H2,1H3,(H,24,25);2-5,7-9,11,16,19,23H,6,10,12-13H2,1H3;3-5,7-8,12-13,15H,2,6,9-10H2,1H3;3-10H,2H2,1H3;3-5H,1-2H3;3-5H,2H2,1H3;1-4H,11H2;1H4;;;;/t21?,24-;17?,20-;;16?,19-;12?,13-;;;;;;;;;/m00.00........./s1
• InChIKey: YNACJDMVRPYOEG-XUZDTFAPSA-N
• XLogP: 30.24
• TPSA: 405.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2598.22
LogP ≤ 5	30.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium?

The IUPAC name of ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium (CID 162155095) is ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium.

What is the SMILES notation for ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium?

The canonical SMILES for ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium is C.CC(=O)c1c(C)cccc1F.CCOC(=O)C1CCCN(C(=O)c2c(C)cccc2F)[C@H]1c1ccccc1.CCOC(=O)C1CCCN[C@H]1c1ccccc1.CCOC(=O)c1cccnc1-c1ccccc1.CCOC(=O)c1cccnc1Cl.Cc1cccc(F)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1.Cc1cccc(F)c1C(=O)N1CCCC(C(=O)O)C1c1ccccc1.Cc1cccc(F)c1C(=O)N1CCCC(CO)[C@@H]1c1ccccc1.Nc1cccc(C(F)(F)F)c1.O=[Cr](=O)=O.

What is the InChIKey of ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium?

The InChIKey is YNACJDMVRPYOEG-XUZDTFAPSA-N. The full InChI is InChI=1S/C27H24F4N2O2.C22H24FNO3.C20H20FNO3.C20H22FNO2.C14H19NO2.C14H13NO2.C9H9FO.C8H8ClNO2.C7H6F3N.CH4.Cr.3O/c1-17-8-5-14-22(28)23(17)26(35)33-15-7-13-21(24(33)18-9-3-2-4-10-18)25(34)32-20-12-6-11-19(16-20)27(29,30)31;1-3-27-22(26)17-12-8-14-24(20(17)16-10-5-4-6-11-16)21(25)19-15(2)9-7-13-18(19)23;1-13-7-5-11-16(21)17(13)19(23)22-12-6-10-15(20(24)25)18(22)14-8-3-2-4-9-14;1-14-7-5-11-17(21)18(14)20(24)22-12-6-10-16(13-23)19(22)15-8-3-2-4-9-15;2*1-2-17-14(16)12-9-6-10-15-13(12)11-7-4-3-5-8-11;1-6-4-3-5-8(10)9(6)7(2)11;1-2-12-8(11)6-4-3-5-10-7(6)9;8-7(9,10)5-2-1-3-6(11)4-5;;;;;/h2-6,8-12,14,16,21,24H,7,13,15H2,1H3,(H,32,34);4-7,9-11,13,17,20H,3,8,12,14H2,1-2H3;2-5,7-9,11,15,18H,6,10,12H2,1H3,(H,24,25);2-5,7-9,11,16,19,23H,6,10,12-13H2,1H3;3-5,7-8,12-13,15H,2,6,9-10H2,1H3;3-10H,2H2,1H3;3-5H,1-2H3;3-5H,2H2,1H3;1-4H,11H2;1H4;;;;/t21?,24-;17?,20-;;16?,19-;12?,13-;;;;;;;;;/m00.00........./s1.

What are the key properties of ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium?

ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium has a molecular weight of 2598.22 g/mol, XLogP of 30.24, 23 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-chloropyridine-3-carboxylate;ethyl (2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylate;ethyl (2R)-2-phenylpiperidine-3-carboxylate;ethyl 2-phenylpyridine-3-carboxylate;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxylic acid;(2R)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide;1-(2-fluoro-6-methylphenyl)ethanone;(2-fluoro-6-methylphenyl)-[(2R)-3-(hydroxymethyl)-2-phenylpiperidin-1-yl]methanone;methane;3-(trifluoromethyl)aniline;trioxochromium is sourced from PubChem (CID 162155095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).