1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol

C24H17BrF3NO2S — CID 10166349

IUPAC1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol
SMILESOC(c1cncc(-c2sccc2-c2cc(Br)ccc2OCc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H17BrF3NO2S/c25-18-6-7-21(31-14-15-4-2-1-3-5-15)20(11-18)19-8-9-32-22(19)16-10-17(13-29-12-16)23(30)24(26,27)28/h1-13,23,30H,14H2
InChIKeyREPXILUILUTVRG-UHFFFAOYSA-N
MW520.37 g/mol
LogP7.41
Rot. Bonds6

About 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol

1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol (PubChem CID 10166349) has the molecular formula C24H17BrF3NO2S and a molecular weight of 520.37 g/mol. Its IUPAC name is 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol
PubChem CID10166349
Molecular FormulaC24H17BrF3NO2S
Molecular Weight520.37 g/mol
Exact Mass519.01
IUPAC Name1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol
SMILESOC(c1cncc(-c2sccc2-c2cc(Br)ccc2OCc2ccccc2)c1)C(F)(F)F
InChIInChI=1S/C24H17BrF3NO2S/c25-18-6-7-21(31-14-15-4-2-1-3-5-15)20(11-18)19-8-9-32-22(19)16-10-17(13-29-12-16)23(30)24(26,27)28/h1-13,23,30H,14H2
InChIKeyREPXILUILUTVRG-UHFFFAOYSA-N
XLogP7.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.37
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol with MolForge

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Related Compounds

1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]pyridin-1-ium-3-yl]-2,2,2-trifluoroethanol chloride
CID 160603869
5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine-3-carboxylate
CID 18718074
[(1E,3E)-2-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-6,6,6-trifluoro-5-hydroxy-4-methylhexa-1,3-dienyl]azanium
CID 142049324
3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridine
CID 91231900
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
amino 2-[4-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]acetate
CID 149470413
sodium 5-[3-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
CID 23684407
sodium 4-[3-(2-phenylmethoxyphenyl)thiophen-2-yl]benzoate
CID 23679676
1-[4-(5-bromo-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3334152
1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)-2,2,2-trifluoroethanol
CID 72705207
N-[4-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]phenyl]-N-(pyridin-3-ylmethyl)formamide
CID 22620216
2-(5-bromo-2-phenylmethoxyphenyl)propane-1,3-diol
CID 156555917

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol (CID 10166349) is 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol is OC(c1cncc(-c2sccc2-c2cc(Br)ccc2OCc2ccccc2)c1)C(F)(F)F.
What is the InChIKey of 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol?
The InChIKey is REPXILUILUTVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrF3NO2S/c25-18-6-7-21(31-14-15-4-2-1-3-5-15)20(11-18)19-8-9-32-22(19)16-10-17(13-29-12-16)23(30)24(26,27)28/h1-13,23,30H,14H2.
What are the key properties of 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol?
1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol has a molecular weight of 520.37 g/mol, XLogP of 7.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-3-pyridinyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 10166349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).