1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol

C15H10F3NOS — CID 102707292

IUPAC1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)c1csc2ccccc12
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)12-5-6-19-7-10(12)14(20)11-8-21-13-4-2-1-3-9(11)13/h1-8,14,20H
InChIKeyAPJKDNFJICNOEO-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.40
Rot. Bonds2

About 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol

1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707292) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707292
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Name1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cnccc1C(F)(F)F)c1csc2ccccc12
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)12-5-6-19-7-10(12)14(20)11-8-21-13-4-2-1-3-9(11)13/h1-8,14,20H
InChIKeyAPJKDNFJICNOEO-UHFFFAOYSA-N
XLogP4.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
1-benzothiophen-3-yl(quinolin-5-yl)methanol
CID 78917707
1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine
CID 105038149
(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707906
(2-bromo-3,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 107538556
(3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707278
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,6-trimethylphenyl)methanol
CID 102707275
(2-bromo-4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707425
pyrazolo[1,5-a]pyrazin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 103129340

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707292) is 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1cnccc1C(F)(F)F)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is APJKDNFJICNOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c16-15(17,18)12-5-6-19-7-10(12)14(20)11-8-21-13-4-2-1-3-9(11)13/h1-8,14,20H.
What are the key properties of 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol?
1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 309.31 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).