[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate

C133H132Cl5F5N8O24 — CID 161065846

IUPAC[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1.CCOC(=O)C1CCNCC1.COC(=O)OCc1ccc(OC)c(-c2cccc(Cl)c2)c1F.COC(=O)c1ccc(C2OC(C)(C)C(C)(C)O2)cn1.COC(=O)c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)CC3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C28H28ClFN2O4.C26H24ClFN2O4.C21H17ClFNO3.C20H15ClFNO3.C16H14ClFO4.C14H19NO4.C8H15NO2/c1-3-36-28(34)19-11-13-32(14-12-19)27(33)23-9-7-18(17-31-23)15-21-8-10-24(35-2)25(26(21)30)20-5-4-6-22(29)16-20;1-34-22-8-6-19(24(28)23(22)18-3-2-4-20(27)14-18)13-16-5-7-21(29-15-16)25(31)30-11-9-17(10-12-30)26(32)33;1-26-18-9-7-15(10-13-6-8-17(24-12-13)21(25)27-2)20(23)19(18)14-4-3-5-16(22)11-14;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-20-13-7-6-11(9-22-16(19)21-2)15(18)14(13)10-4-3-5-12(17)8-10;1-13(2)14(3,4)19-12(18-13)9-6-7-10(15-8-9)11(16)17-5;1-2-11-8(10)7-3-5-9-6-4-7/h4-10,16-17,19H,3,11-15H2,1-2H3;2-8,14-15,17H,9-13H2,1H3,(H,32,33);3-9,11-12H,10H2,1-2H3;2-8,10-11H,9H2,1H3,(H,24,25);3-8H,9H2,1-2H3;6-8,12H,1-5H3;7,9H,2-6H2,1H3
InChIKeyUDZWKLICRIWXCH-UHFFFAOYSA-N
MW2498.81 g/mol
LogP27.86
Rot. Bonds31

About [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate

[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate (PubChem CID 161065846) has the molecular formula C133H132Cl5F5N8O24 and a molecular weight of 2498.81 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate
PubChem CID161065846
Molecular FormulaC133H132Cl5F5N8O24
Molecular Weight2498.81 g/mol
Exact Mass2494.77
IUPAC Name[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1.CCOC(=O)C1CCNCC1.COC(=O)OCc1ccc(OC)c(-c2cccc(Cl)c2)c1F.COC(=O)c1ccc(C2OC(C)(C)C(C)(C)O2)cn1.COC(=O)c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)CC3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C28H28ClFN2O4.C26H24ClFN2O4.C21H17ClFNO3.C20H15ClFNO3.C16H14ClFO4.C14H19NO4.C8H15NO2/c1-3-36-28(34)19-11-13-32(14-12-19)27(33)23-9-7-18(17-31-23)15-21-8-10-24(35-2)25(26(21)30)20-5-4-6-22(29)16-20;1-34-22-8-6-19(24(28)23(22)18-3-2-4-20(27)14-18)13-16-5-7-21(29-15-16)25(31)30-11-9-17(10-12-30)26(32)33;1-26-18-9-7-15(10-13-6-8-17(24-12-13)21(25)27-2)20(23)19(18)14-4-3-5-16(22)11-14;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-20-13-7-6-11(9-22-16(19)21-2)15(18)14(13)10-4-3-5-12(17)8-10;1-13(2)14(3,4)19-12(18-13)9-6-7-10(15-8-9)11(16)17-5;1-2-11-8(10)7-3-5-9-6-4-7/h4-10,16-17,19H,3,11-15H2,1-2H3;2-8,14-15,17H,9-13H2,1H3,(H,32,33);3-9,11-12H,10H2,1-2H3;2-8,10-11H,9H2,1H3,(H,24,25);3-8H,9H2,1-2H3;6-8,12H,1-5H3;7,9H,2-6H2,1H3
InChIKeyUDZWKLICRIWXCH-UHFFFAOYSA-N
XLogP27.86
TPSA397.04 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002498.81
LogP ≤ 527.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate with MolForge

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Related Compounds

N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;2-[3-[(1S)-1-(5-chloro-2-pyridinyl)-1-[[3-(1,1-difluoroethyl)-4-fluorobenzoyl]amino]-2-phenylethyl]-5-fluorophenoxy]acetic acid;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-(3-fluoro-5-hydroxyphenyl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-(3-fluoro-5-methoxyphenyl)-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(3-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123365881
Carbanide;[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate
CID 157171105
5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)-morpholin-4-ylmethanone;bromo acetate;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;morpholine
CID 157398087
Magnesium;azetidine;2-[1-(azetidin-1-yl)ethyl]-5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine;carbanide;[3-(3-chlorophenyl)-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]ethanone;bis(2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol);methane;methyl 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;oxolane;bromide;dihydrochloride
CID 157641357
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-N,N-dimethylpyridine-2-carboxamide;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;N-methylmethanamine
CID 157655432
1-[5-[[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate
CID 158250000
[3-(3-Chlorophenyl)-4-(difluoromethoxy)phenyl]methanol;[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl methyl carbonate;2-[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]propan-2-ol;methyl carbonochloridate;methyl 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;hydrochloride
CID 158383698
[3-(3-Cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;3-[2-fluoro-3-(hydroxymethyl)-6-methoxyphenyl]benzonitrile;methyl 5-[[3-(3-cyanophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate
CID 158784620
[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;methane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
CID 159900696
[3-(3-Chlorophenyl)-4-(difluoromethoxy)phenyl]methanol;[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl methyl carbonate;2-[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl carbonochloridate;methyl 5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate;hydrochloride
CID 159916673
[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;2-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;ethane;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
CID 161251137
Carbanide;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]pyrrolidine-3-carboxylate;methyl cyclopentanecarboxylate
CID 161262676

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate?
The IUPAC name of [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate (CID 161065846) is [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate?
The canonical SMILES for [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)CC1.CCOC(=O)C1CCNCC1.COC(=O)OCc1ccc(OC)c(-c2cccc(Cl)c2)c1F.COC(=O)c1ccc(C2OC(C)(C)C(C)(C)O2)cn1.COC(=O)c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1.COc1ccc(Cc2ccc(C(=O)N3CCC(C(=O)O)CC3)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate?
The InChIKey is UDZWKLICRIWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN2O4.C26H24ClFN2O4.C21H17ClFNO3.C20H15ClFNO3.C16H14ClFO4.C14H19NO4.C8H15NO2/c1-3-36-28(34)19-11-13-32(14-12-19)27(33)23-9-7-18(17-31-23)15-21-8-10-24(35-2)25(26(21)30)20-5-4-6-22(29)16-20;1-34-22-8-6-19(24(28)23(22)18-3-2-4-20(27)14-18)13-16-5-7-21(29-15-16)25(31)30-11-9-17(10-12-30)26(32)33;1-26-18-9-7-15(10-13-6-8-17(24-12-13)21(25)27-2)20(23)19(18)14-4-3-5-16(22)11-14;1-26-17-8-6-14(9-12-5-7-16(20(24)25)23-11-12)19(22)18(17)13-3-2-4-15(21)10-13;1-20-13-7-6-11(9-22-16(19)21-2)15(18)14(13)10-4-3-5-12(17)8-10;1-13(2)14(3,4)19-12(18-13)9-6-7-10(15-8-9)11(16)17-5;1-2-11-8(10)7-3-5-9-6-4-7/h4-10,16-17,19H,3,11-15H2,1-2H3;2-8,14-15,17H,9-13H2,1H3,(H,32,33);3-9,11-12H,10H2,1-2H3;2-8,10-11H,9H2,1H3,(H,24,25);3-8H,9H2,1-2H3;6-8,12H,1-5H3;7,9H,2-6H2,1H3.
What are the key properties of [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate?
[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate has a molecular weight of 2498.81 g/mol, XLogP of 27.86, 31 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl methyl carbonate;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylic acid;5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylic acid;ethyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carbonyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;methyl 5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridine-2-carboxylate;methyl 5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 161065846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).