(4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol

C16H12ClNOS — CID 56679338

IUPAC(4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cccs1
InChIInChI=1S/C16H12ClNOS/c17-14-7-5-12(6-8-14)16(19,15-4-2-10-20-15)13-3-1-9-18-11-13/h1-11,19H
InChIKeyFPESOSKYXCUWOM-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.08
Rot. Bonds3

About (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol

(4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol (PubChem CID 56679338) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
PubChem CID56679338
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name(4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cccs1
InChIInChI=1S/C16H12ClNOS/c17-14-7-5-12(6-8-14)16(19,15-4-2-10-20-15)13-3-1-9-18-11-13/h1-11,19H
InChIKeyFPESOSKYXCUWOM-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
The IUPAC name of (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol (CID 56679338) is (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1cccs1.
What is the InChIKey of (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
The InChIKey is FPESOSKYXCUWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c17-14-7-5-12(6-8-14)16(19,15-4-2-10-20-15)13-3-1-9-18-11-13/h1-11,19H.
What are the key properties of (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
(4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol has a molecular weight of 301.80 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol is sourced from PubChem (CID 56679338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).