thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol

C15H10F3NOS — CID 81154217

IUPACthieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)11-3-1-9(2-4-11)14(20)10-7-13-12(19-8-10)5-6-21-13/h1-8,14,20H
InChIKeyRKLOPINVLZPGNK-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.40
Rot. Bonds2

About thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol

thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 81154217) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namethieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID81154217
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Namethieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cnc2ccsc2c1
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)11-3-1-9(2-4-11)14(20)10-7-13-12(19-8-10)5-6-21-13/h1-8,14,20H
InChIKeyRKLOPINVLZPGNK-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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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol (CID 81154217) is thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)c1cnc2ccsc2c1.
What is the InChIKey of thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is RKLOPINVLZPGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c16-15(17,18)11-3-1-9(2-4-11)14(20)10-7-13-12(19-8-10)5-6-21-13/h1-8,14,20H.
What are the key properties of thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol?
thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]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 thieno[3,2-b]pyridin-6-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 81154217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).