4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol

C21H14ClNOS — CID 137175136

IUPAC4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3cccs3)cc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H14ClNOS/c22-17-4-1-3-15(11-17)20-13-16(21-5-2-10-25-21)12-19(23-20)14-6-8-18(24)9-7-14/h1-13,24H
InChIKeyRMQLOLIZDXYDPK-UHFFFAOYSA-N
MW363.87 g/mol
LogP6.50
Rot. Bonds3

About 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol

4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol (PubChem CID 137175136) has the molecular formula C21H14ClNOS and a molecular weight of 363.87 g/mol. Its IUPAC name is 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
PubChem CID137175136
Molecular FormulaC21H14ClNOS
Molecular Weight363.87 g/mol
Exact Mass363.05
IUPAC Name4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3cccs3)cc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H14ClNOS/c22-17-4-1-3-15(11-17)20-13-16(21-5-2-10-25-21)12-19(23-20)14-6-8-18(24)9-7-14/h1-13,24H
InChIKeyRMQLOLIZDXYDPK-UHFFFAOYSA-N
XLogP6.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.87
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
The IUPAC name of 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol (CID 137175136) is 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3cccs3)cc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
The InChIKey is RMQLOLIZDXYDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNOS/c22-17-4-1-3-15(11-17)20-13-16(21-5-2-10-25-21)12-19(23-20)14-6-8-18(24)9-7-14/h1-13,24H.
What are the key properties of 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol has a molecular weight of 363.87 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol is sourced from PubChem (CID 137175136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).