(5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol

C16H11ClFNO2S — CID 118384478

IUPAC(5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol
SMILESOC(c1csc(Cl)c1)c1cccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H11ClFNO2S/c17-14-8-10(9-22-14)16(20)13-2-1-3-15(19-13)21-12-6-4-11(18)5-7-12/h1-9,16,20H
InChIKeyRQFRNAKGINJVEZ-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.81
Rot. Bonds4

About (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol

(5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol (PubChem CID 118384478) has the molecular formula C16H11ClFNO2S and a molecular weight of 335.79 g/mol. Its IUPAC name is (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name(5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol
PubChem CID118384478
Molecular FormulaC16H11ClFNO2S
Molecular Weight335.79 g/mol
Exact Mass335.02
IUPAC Name(5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol
SMILESOC(c1csc(Cl)c1)c1cccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H11ClFNO2S/c17-14-8-10(9-22-14)16(20)13-2-1-3-15(19-13)21-12-6-4-11(18)5-7-12/h1-9,16,20H
InChIKeyRQFRNAKGINJVEZ-UHFFFAOYSA-N
XLogP4.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol?
The IUPAC name of (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol (CID 118384478) is (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol.
What is the SMILES notation for (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol?
The canonical SMILES for (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol is OC(c1csc(Cl)c1)c1cccc(Oc2ccc(F)cc2)n1.
What is the InChIKey of (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol?
The InChIKey is RQFRNAKGINJVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2S/c17-14-8-10(9-22-14)16(20)13-2-1-3-15(19-13)21-12-6-4-11(18)5-7-12/h1-9,16,20H.
What are the key properties of (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol?
(5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol has a molecular weight of 335.79 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-3-yl)-[6-(4-fluorophenoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 118384478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).