1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

C21H14F3NOS — CID 56672374

IUPAC1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1cccnc1)c1cc2ccccc2s1
InChIInChI=1S/C21H14F3NOS/c22-21(23,24)16-9-7-15(8-10-16)20(26,17-5-3-11-25-13-17)19-12-14-4-1-2-6-18(14)27-19/h1-13,26H
InChIKeySGMOYOWQEDTEKP-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.60
Rot. Bonds3

About 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 56672374) has the molecular formula C21H14F3NOS and a molecular weight of 385.41 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID56672374
Molecular FormulaC21H14F3NOS
Molecular Weight385.41 g/mol
Exact Mass385.07
IUPAC Name1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)(c1cccnc1)c1cc2ccccc2s1
InChIInChI=1S/C21H14F3NOS/c22-21(23,24)16-9-7-15(8-10-16)20(26,17-5-3-11-25-13-17)19-12-14-4-1-2-6-18(14)27-19/h1-13,26H
InChIKeySGMOYOWQEDTEKP-UHFFFAOYSA-N
XLogP5.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (CID 56672374) is 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)(c1cccnc1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is SGMOYOWQEDTEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NOS/c22-21(23,24)16-9-7-15(8-10-16)20(26,17-5-3-11-25-13-17)19-12-14-4-1-2-6-18(14)27-19/h1-13,26H.
What are the key properties of 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 385.41 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 56672374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).