2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine

C82H57F6N7S4 — CID 158813685

IUPAC2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine
SMILESFC(F)(F)c1ccc(-c2cc3ccccc3s2)nc1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)cc1.c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccs2)nc1.c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C14H8F3NS.2C13H9NS.C11H7F2N.C11H8FN.C11H9N.C9H7NS/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9/h1-8H;2*1-9H;1-7H;1-8H;1-9H;1-7H
InChIKeyIUZQUCPAFDDDKW-UHFFFAOYSA-N
MW1382.66 g/mol
LogP24.38
Rot. Bonds7

About 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine

2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine (PubChem CID 158813685) has the molecular formula C82H57F6N7S4 and a molecular weight of 1382.66 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine
PubChem CID158813685
Molecular FormulaC82H57F6N7S4
Molecular Weight1382.66 g/mol
Exact Mass1381.35
IUPAC Name2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine
SMILESFC(F)(F)c1ccc(-c2cc3ccccc3s2)nc1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)cc1.c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccs2)nc1.c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C14H8F3NS.2C13H9NS.C11H7F2N.C11H8FN.C11H9N.C9H7NS/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9/h1-8H;2*1-9H;1-7H;1-8H;1-9H;1-7H
InChIKeyIUZQUCPAFDDDKW-UHFFFAOYSA-N
XLogP24.38
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001382.66
LogP ≤ 524.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine with MolForge

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Related Compounds

Tris(2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine);iridium(3+)
CID 22635189
N-(1,3-benzothiazol-5-yl)-2-[(2S,3S)-1-(2,2-difluoroethyl)-2-methylpiperidin-3-yl]-6-[5-[[2-[2-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]thieno[2,3-b]pyridin-4-yl]amino]-1,3-benzothiazol-7-yl]thieno[2,3-b]pyridin-4-amine
CID 154953018
2-[4,6-Difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-benzothiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 157617596
2-[2-Fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyridine;2-thiophen-2-ylpyridine
CID 157935627
2-Cyclopropyl-6-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-ylpyridine;bis(5-cyclopropyl-2-propan-2-ylpyridine);2-cyclopropyl-5-propan-2-yl-1,3-thiazole;methane;5-methyl-2-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-methyl-4-propan-2-yl-1,3-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;tris(5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole);2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole)
CID 158359931
N-(1,3-benzothiazol-5-yl)-2-(2-methylpiperidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[2-methyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]thieno[2,3-b]pyridin-4-amine;1,1,1-trifluoropropane
CID 158614710
2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;5-(2,6-dimethylphenyl)-9-ethyl-3-pyridin-2-yl-2H-carbazol-2-ide;tris(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;heptakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 158665055
1-Tert-butyl-3-propan-2-ylbenzene;3-tert-butyl-5-propan-2-ylpyridine;cumene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;methane;nonadecakis(2-methylpropane);1-methyl-4-(3-propan-2-ylphenyl)piperidine;1-phenyl-3-propan-2-ylbenzene;3-phenyl-5-propan-2-ylpyridine;3-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;3-(3-propan-2-ylphenyl)pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene;3-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 158807288
4,5-Dimethyl-2-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonitrile);5-methyl-2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole-5-carbonitrile;2-propan-2-yl-4,5-bis(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carbonitrile;5-propan-2-yl-1,2-thiazole-3-carbonitrile;bis(2-propan-2-yl-5-(trifluoromethyl)pyridine);2-propan-2-yl-6-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
CID 159147930
2-[3-(4-Tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[4,6-difluoro-2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)-5-(trifluoromethyl)phenyl]-1,3-thiazol-3-ium;3-methyl-2-[2,4,6-trimethyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-thiazol-3-ium
CID 159443307
2-[3-(5-Tert-butyl-1-methylpyridin-1-ium-2-yl)-4,6-difluoro-2-methylphenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2-methyl-5-(trifluoromethyl)phenyl]-3-methyl-1,3-thiazol-3-ium;2-[3-(5-tert-butyl-1-methylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-3-methyl-1,3-thiazol-3-ium;3-methyl-2-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1,3-benzothiazol-3-ium
CID 159496861
2-(4-Dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 159798427

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine?
The IUPAC name of 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine (CID 158813685) is 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine is FC(F)(F)c1ccc(-c2cc3ccccc3s2)nc1.Fc1ccc(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)cc1.c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccs2)nc1.c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine?
The InChIKey is IUZQUCPAFDDDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NS.2C13H9NS.C11H7F2N.C11H8FN.C11H9N.C9H7NS/c15-14(16,17)10-5-6-11(18-8-10)13-7-9-3-1-2-4-12(9)19-13;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9/h1-8H;2*1-9H;1-7H;1-8H;1-9H;1-7H.
What are the key properties of 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine?
2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine has a molecular weight of 1382.66 g/mol, XLogP of 24.38, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine is sourced from PubChem (CID 158813685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).