[4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate

C71H41F18N7O18S6 — CID 160807541

IUPAC[4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc(-c2ccc(-c3ccccn3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.O=S(=O)(Oc1ccc(-c2ccc(-c3cccnc3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.O=S(=O)(Oc1ccc(-c2ccc(-c3ncccn3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/2C24H14F6N2O6S2.C23H13F6N3O6S2/c25-23(26,27)39(33,34)37-18-7-3-15(4-8-18)20-11-12-21(17-2-1-13-31-14-17)32-22(20)16-5-9-19(10-6-16)38-40(35,36)24(28,29)30;25-23(26,27)39(33,34)37-17-8-4-15(5-9-17)19-12-13-21(20-3-1-2-14-31-20)32-22(19)16-6-10-18(11-7-16)38-40(35,36)24(28,29)30;24-22(25,26)39(33,34)37-16-6-2-14(3-7-16)18-10-11-19(21-30-12-1-13-31-21)32-20(18)15-4-8-17(9-5-15)38-40(35,36)23(27,28)29/h2*1-14H;1-13H
InChIKeySDWQBMYZOLFTCS-UHFFFAOYSA-N
MW1814.51 g/mol
LogP17.20
Rot. Bonds21

About [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate

[4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate (PubChem CID 160807541) has the molecular formula C71H41F18N7O18S6 and a molecular weight of 1814.51 g/mol. Its IUPAC name is [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
PubChem CID160807541
Molecular FormulaC71H41F18N7O18S6
Molecular Weight1814.51 g/mol
Exact Mass1813.05
IUPAC Name[4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc(-c2ccc(-c3ccccn3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.O=S(=O)(Oc1ccc(-c2ccc(-c3cccnc3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.O=S(=O)(Oc1ccc(-c2ccc(-c3ncccn3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F
InChIInChI=1S/2C24H14F6N2O6S2.C23H13F6N3O6S2/c25-23(26,27)39(33,34)37-18-7-3-15(4-8-18)20-11-12-21(17-2-1-13-31-14-17)32-22(20)16-5-9-19(10-6-16)38-40(35,36)24(28,29)30;25-23(26,27)39(33,34)37-17-8-4-15(5-9-17)19-12-13-21(20-3-1-2-14-31-20)32-22(19)16-6-10-18(11-7-16)38-40(35,36)24(28,29)30;24-22(25,26)39(33,34)37-16-6-2-14(3-7-16)18-10-11-19(21-30-12-1-13-31-21)32-20(18)15-4-8-17(9-5-15)38-40(35,36)23(27,28)29/h2*1-14H;1-13H
InChIKeySDWQBMYZOLFTCS-UHFFFAOYSA-N
XLogP17.20
TPSA350.45 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.51
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate with MolForge

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Related Compounds

[4-[6-Pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]pyridin-3-yl]phenyl] trifluoromethanesulfonate
CID 57958504
[4-[6-Pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]pyridin-3-yl]phenyl] trifluoromethanesulfonate
CID 57958523
[4-[6-Pyrimidin-5-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]pyridin-3-yl]phenyl] trifluoromethanesulfonate
CID 57958573
4-[1-(2,2-Difluoroethyl)piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine;2,2-difluoroethyl trifluoromethanesulfonate;5-(3-methoxyphenyl)-4-piperidin-4-yl-2-pyridin-4-ylpyrimidine
CID 157069369
2,3-Bis(5-bromonaphthalen-1-yl)-6-pyridin-2-ylpyridine;2,3-bis(2-bromophenyl)-6-pyridin-2-ylpyridine;2,3-bis(3-bromophenyl)-6-pyridin-2-ylpyridine;[4-[6-pyridin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
CID 157159021
[4-[6-Pyridin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-5-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
CID 157674433
2,3-Bis(4-iodophenyl)-6-pyridin-3-ylpyridine;2,3-bis(4-iodophenyl)-6-pyridin-4-ylpyridine;4-[5,6-bis(4-iodophenyl)-2-pyridinyl]pyrimidine;5-[5,6-bis(4-iodophenyl)-2-pyridinyl]pyrimidine;[4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
CID 157753605
Bis([4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate);[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-5-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
CID 157945082
[4-[6-Pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-4-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-5-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
CID 157996866
methane;2-[4-[4-[(E)-2-pyridin-4-ylethenyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindol-5-ol;[2-[4-[4-[(E)-2-pyridin-4-ylethenyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindol-5-yl] trifluoromethanesulfonate
CID 158027099
2-(3,4-Difluorophenyl)-3-fluoro-5-(5-methyl-2-pyridinyl)pyridine;2-[6-(3,4-difluorophenyl)-5-fluoro-3-pyridinyl]-5-methylpyrimidine;bis(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]pyridine);tris(3-fluoro-5-(5-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]pyridine);bis(2-[5-fluoro-6-(3,4,5-trifluorophenyl)-3-pyridinyl]-5-methylpyrimidine)
CID 158475746
2,4-Diphenyl-6-[4-[7-(4-pyridin-2-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine;[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;(4-pyridin-2-ylphenyl)boronic acid
CID 158683539

Frequently Asked Questions

What is the IUPAC name of [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate?
The IUPAC name of [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate (CID 160807541) is [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate.
What is the SMILES notation for [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate?
The canonical SMILES for [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate is O=S(=O)(Oc1ccc(-c2ccc(-c3ccccn3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.O=S(=O)(Oc1ccc(-c2ccc(-c3cccnc3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.O=S(=O)(Oc1ccc(-c2ccc(-c3ncccn3)nc2-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.
What is the InChIKey of [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate?
The InChIKey is SDWQBMYZOLFTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H14F6N2O6S2.C23H13F6N3O6S2/c25-23(26,27)39(33,34)37-18-7-3-15(4-8-18)20-11-12-21(17-2-1-13-31-14-17)32-22(20)16-5-9-19(10-6-16)38-40(35,36)24(28,29)30;25-23(26,27)39(33,34)37-17-8-4-15(5-9-17)19-12-13-21(20-3-1-2-14-31-20)32-22(19)16-6-10-18(11-7-16)38-40(35,36)24(28,29)30;24-22(25,26)39(33,34)37-16-6-2-14(3-7-16)18-10-11-19(21-30-12-1-13-31-21)32-20(18)15-4-8-17(9-5-15)38-40(35,36)23(27,28)29/h2*1-14H;1-13H.
What are the key properties of [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate?
[4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate has a molecular weight of 1814.51 g/mol, XLogP of 17.20, 21 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-pyridin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyridin-3-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate;[4-[6-pyrimidin-2-yl-2-[4-(trifluoromethylsulfonyloxy)phenyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate is sourced from PubChem (CID 160807541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).