5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol

C103H106Br4Cl8I2N12O10S4 — CID 159586003

IUPAC5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol
SMILESBrc1cnc(I)c(OCc2ccccc2)c1.CC1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(O)c2)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(OCc3ccccc3)c2)CC1.CC1(NC(=O)OC(C)(C)C)CCNCC1.Clc1cccc(Sc2ncc(Br)cc2OCc2ccccc2)c1Cl.Oc1cc(Br)cnc1I.Oc1cncc(Br)c1.Sc1cccc(Cl)c1Cl
InChIInChI=1S/C29H33Cl2N3O3S.C18H12BrCl2NOS.C17H19Cl2N3OS.C12H9BrINO.C11H22N2O2.C6H4Cl2S.C5H3BrINO.C5H4BrNO/c1-28(2,3)37-27(35)33-29(4)13-15-34(16-14-29)21-17-23(36-19-20-9-6-5-7-10-20)26(32-18-21)38-24-12-8-11-22(30)25(24)31;19-13-9-15(23-11-12-5-2-1-3-6-12)18(22-10-13)24-16-8-4-7-14(20)17(16)21;1-17(20)5-7-22(8-6-17)11-9-13(23)16(21-10-11)24-14-4-2-3-12(18)15(14)19;13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9;1-10(2,3)15-9(14)13-11(4)5-7-12-8-6-11;7-4-2-1-3-5(9)6(4)8;6-3-1-4(9)5(7)8-2-3;6-4-1-5(8)3-7-2-4/h5-12,17-18H,13-16,19H2,1-4H3,(H,33,35);1-10H,11H2;2-4,9-10,23H,5-8,20H2,1H3;1-7H,8H2;12H,5-8H2,1-4H3,(H,13,14);1-3,9H;1-2,9H;1-3,8H
InChIKeyMJPVEGVWTZDAQR-UHFFFAOYSA-N
MW2657.37 g/mol
LogP32.11
Rot. Bonds19

About 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol

5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol (PubChem CID 159586003) has the molecular formula C103H106Br4Cl8I2N12O10S4 and a molecular weight of 2657.37 g/mol. Its IUPAC name is 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol.

Molecular Properties

Compound Name5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol
PubChem CID159586003
Molecular FormulaC103H106Br4Cl8I2N12O10S4
Molecular Weight2657.37 g/mol
Exact Mass2647.94
IUPAC Name5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol
SMILESBrc1cnc(I)c(OCc2ccccc2)c1.CC1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(O)c2)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(OCc3ccccc3)c2)CC1.CC1(NC(=O)OC(C)(C)C)CCNCC1.Clc1cccc(Sc2ncc(Br)cc2OCc2ccccc2)c1Cl.Oc1cc(Br)cnc1I.Oc1cncc(Br)c1.Sc1cccc(Cl)c1Cl
InChIInChI=1S/C29H33Cl2N3O3S.C18H12BrCl2NOS.C17H19Cl2N3OS.C12H9BrINO.C11H22N2O2.C6H4Cl2S.C5H3BrINO.C5H4BrNO/c1-28(2,3)37-27(35)33-29(4)13-15-34(16-14-29)21-17-23(36-19-20-9-6-5-7-10-20)26(32-18-21)38-24-12-8-11-22(30)25(24)31;19-13-9-15(23-11-12-5-2-1-3-6-12)18(22-10-13)24-16-8-4-7-14(20)17(16)21;1-17(20)5-7-22(8-6-17)11-9-13(23)16(21-10-11)24-14-4-2-3-12(18)15(14)19;13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9;1-10(2,3)15-9(14)13-11(4)5-7-12-8-6-11;7-4-2-1-3-5(9)6(4)8;6-3-1-4(9)5(7)8-2-3;6-4-1-5(8)3-7-2-4/h5-12,17-18H,13-16,19H2,1-4H3,(H,33,35);1-10H,11H2;2-4,9-10,23H,5-8,20H2,1H3;1-7H,8H2;12H,5-8H2,1-4H3,(H,13,14);1-3,9H;1-2,9H;1-3,8H
InChIKeyMJPVEGVWTZDAQR-UHFFFAOYSA-N
XLogP32.11
TPSA286.91 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002657.37
LogP ≤ 532.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol with MolForge

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Related Compounds

5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;(R)-N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 161428677
tert-butyl N-[1-[5-(2,3-dichlorophenyl)sulfanyl-6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 138735062
6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-bromo-6-chloropyrazin-2-amine;tert-butyl N-[(4-methylpiperidin-4-yl)methyl]carbamate;6-chloro-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;2,3-dichlorobenzenethiol
CID 162225489
methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
CID 138735087
tert-butyl N-[(4R)-8-[6-(2,3-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-5-phenylmethoxy-3-pyridinyl]-8-azaspiro[4.5]decan-4-yl]carbamate
CID 135255026
tert-butyl 3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,3-b]pyridine-1-carboxylate
CID 150337997
N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylphenyl]-3-hydroxy-5-oxo-1-phenyl-2H-pyrrole-4-carboxamide;3-(3-aminophenyl)sulfanyl-6-chloropyrazin-2-amine;tert-butyl N-[1-[6-amino-5-(3-aminophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate
CID 157444337
benzyl N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]carbamate
CID 167297054
methyl 2-chloro-3-[5-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazin-2-yl]sulfanylbenzoate
CID 166465061
(E)-bis[(E)-[(E)-diazenyldiazenyl]diazenyl]diazene;8-bromo-5-methylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidine;8-bromo-5-methylsulfinyl-[1,2,4]triazolo[4,3-c]pyrimidine;tert-butyl N-[1-(8-bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;deuterioethane;2,3-dichlorobenzenethiol;methane
CID 167634275
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
6-(2,3-dichlorophenyl)-1-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylic acid
CID 175443132

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol?
The IUPAC name of 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol (CID 159586003) is 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol.
What is the SMILES notation for 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol?
The canonical SMILES for 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol is Brc1cnc(I)c(OCc2ccccc2)c1.CC1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(O)c2)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(OCc3ccccc3)c2)CC1.CC1(NC(=O)OC(C)(C)C)CCNCC1.Clc1cccc(Sc2ncc(Br)cc2OCc2ccccc2)c1Cl.Oc1cc(Br)cnc1I.Oc1cncc(Br)c1.Sc1cccc(Cl)c1Cl.
What is the InChIKey of 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol?
The InChIKey is MJPVEGVWTZDAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33Cl2N3O3S.C18H12BrCl2NOS.C17H19Cl2N3OS.C12H9BrINO.C11H22N2O2.C6H4Cl2S.C5H3BrINO.C5H4BrNO/c1-28(2,3)37-27(35)33-29(4)13-15-34(16-14-29)21-17-23(36-19-20-9-6-5-7-10-20)26(32-18-21)38-24-12-8-11-22(30)25(24)31;19-13-9-15(23-11-12-5-2-1-3-6-12)18(22-10-13)24-16-8-4-7-14(20)17(16)21;1-17(20)5-7-22(8-6-17)11-9-13(23)16(21-10-11)24-14-4-2-3-12(18)15(14)19;13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9;1-10(2,3)15-9(14)13-11(4)5-7-12-8-6-11;7-4-2-1-3-5(9)6(4)8;6-3-1-4(9)5(7)8-2-3;6-4-1-5(8)3-7-2-4/h5-12,17-18H,13-16,19H2,1-4H3,(H,33,35);1-10H,11H2;2-4,9-10,23H,5-8,20H2,1H3;1-7H,8H2;12H,5-8H2,1-4H3,(H,13,14);1-3,9H;1-2,9H;1-3,8H.
What are the key properties of 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol?
5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol has a molecular weight of 2657.37 g/mol, XLogP of 32.11, 19 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-4-methylpiperidin-1-yl)-2-(2,3-dichlorophenyl)sulfanylpyridin-3-ol;5-bromo-2-(2,3-dichlorophenyl)sulfanyl-3-phenylmethoxypyridine;5-bromo-2-iodo-3-phenylmethoxypyridine;5-bromo-2-iodopyridin-3-ol;5-bromopyridin-3-ol;tert-butyl N-[1-[6-(2,3-dichlorophenyl)sulfanyl-5-phenylmethoxy-3-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-(4-methylpiperidin-4-yl)carbamate;2,3-dichlorobenzenethiol is sourced from PubChem (CID 159586003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).