2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine

C23H16F3NOS — CID 141376196

IUPAC2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine
SMILESCOc1ccc(-c2csc(-c3ccccn3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H16F3NOS/c1-28-18-11-7-15(8-12-18)19-14-29-22(20-4-2-3-13-27-20)21(19)16-5-9-17(10-6-16)23(24,25)26/h2-14H,1H3
InChIKeyWJOKYIMNBRTCSP-UHFFFAOYSA-N
MW411.45 g/mol
LogP7.17
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine

2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine (PubChem CID 141376196) has the molecular formula C23H16F3NOS and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine
PubChem CID141376196
Molecular FormulaC23H16F3NOS
Molecular Weight411.45 g/mol
Exact Mass411.09
IUPAC Name2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine
SMILESCOc1ccc(-c2csc(-c3ccccn3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H16F3NOS/c1-28-18-11-7-15(8-12-18)19-14-29-22(20-4-2-3-13-27-20)21(19)16-5-9-17(10-6-16)23(24,25)26/h2-14H,1H3
InChIKeyWJOKYIMNBRTCSP-UHFFFAOYSA-N
XLogP7.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.45
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10083051
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CID 10331922
4-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 7680155
4-[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057056
3-(4-Methoxyphenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11673933
4-(4-Methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
4-(6-Methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347621
7-Methoxy-3-(3-thienyl)isoquinoline
CID 44142278
2-[2-[5-Methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine
CID 44142497
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]pyridine
CID 727309
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057213

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine (CID 141376196) is 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine is COc1ccc(-c2csc(-c3ccccn3)c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine?
The InChIKey is WJOKYIMNBRTCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NOS/c1-28-18-11-7-15(8-12-18)19-14-29-22(20-4-2-3-13-27-20)21(19)16-5-9-17(10-6-16)23(24,25)26/h2-14H,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine?
2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine has a molecular weight of 411.45 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 141376196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).