3-(2-thiophen-2-yl-4-pyridinyl)phenol

C15H11NOS — CID 46887578

IUPAC3-(2-thiophen-2-yl-4-pyridinyl)phenol
SMILESOc1cccc(-c2ccnc(-c3cccs3)c2)c1
InChIInChI=1S/C15H11NOS/c17-13-4-1-3-11(9-13)12-6-7-16-14(10-12)15-5-2-8-18-15/h1-10,17H
InChIKeyBSSFRDBTJOKTRA-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.18
Rot. Bonds2

About 3-(2-thiophen-2-yl-4-pyridinyl)phenol

3-(2-thiophen-2-yl-4-pyridinyl)phenol (PubChem CID 46887578) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-(2-thiophen-2-yl-4-pyridinyl)phenol.

Molecular Properties

Compound Name3-(2-thiophen-2-yl-4-pyridinyl)phenol
PubChem CID46887578
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name3-(2-thiophen-2-yl-4-pyridinyl)phenol
SMILESOc1cccc(-c2ccnc(-c3cccs3)c2)c1
InChIInChI=1S/C15H11NOS/c17-13-4-1-3-11(9-13)12-6-7-16-14(10-12)15-5-2-8-18-15/h1-10,17H
InChIKeyBSSFRDBTJOKTRA-UHFFFAOYSA-N
XLogP4.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-yl-4-pyridinyl)phenol?
The IUPAC name of 3-(2-thiophen-2-yl-4-pyridinyl)phenol (CID 46887578) is 3-(2-thiophen-2-yl-4-pyridinyl)phenol.
What is the SMILES notation for 3-(2-thiophen-2-yl-4-pyridinyl)phenol?
The canonical SMILES for 3-(2-thiophen-2-yl-4-pyridinyl)phenol is Oc1cccc(-c2ccnc(-c3cccs3)c2)c1.
What is the InChIKey of 3-(2-thiophen-2-yl-4-pyridinyl)phenol?
The InChIKey is BSSFRDBTJOKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c17-13-4-1-3-11(9-13)12-6-7-16-14(10-12)15-5-2-8-18-15/h1-10,17H.
What are the key properties of 3-(2-thiophen-2-yl-4-pyridinyl)phenol?
3-(2-thiophen-2-yl-4-pyridinyl)phenol has a molecular weight of 253.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-yl-4-pyridinyl)phenol is sourced from PubChem (CID 46887578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).