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

C21H14ClNOS — CID 127032918

IUPAC3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccsc3)cc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C21H14ClNOS/c22-19-7-2-1-6-18(19)21-12-16(15-8-9-25-13-15)11-20(23-21)14-4-3-5-17(24)10-14/h1-13,24H
InChIKeyYUNURCFQNDMJOX-UHFFFAOYSA-N
MW363.87 g/mol
LogP6.50
Rot. Bonds3

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

3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol (PubChem CID 127032918) has the molecular formula C21H14ClNOS and a molecular weight of 363.87 g/mol. Its IUPAC name is 3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
PubChem CID127032918
Molecular FormulaC21H14ClNOS
Molecular Weight363.87 g/mol
Exact Mass363.05
IUPAC Name3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccsc3)cc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C21H14ClNOS/c22-19-7-2-1-6-18(19)21-12-16(15-8-9-25-13-15)11-20(23-21)14-4-3-5-17(24)10-14/h1-13,24H
InChIKeyYUNURCFQNDMJOX-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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Related Compounds

3-[2-(5-Chloro-2-thienyl)pyridin-4-yl]phenol
CID 46887579
3-[4-(5-Chloro-2-thienyl)pyridin-2-yl]phenol
CID 46887581
3-[6-(5-Chloro-2-thienyl)pyridin-2-yl]phenol
CID 46887580
3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 73334913
3-[6-(3-Hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 122179959
3-[6-(3-Chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
CID 127031048
3-[6-(4-Hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137091019
3-[6-(4-Hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
CID 137091024
4-[6-(3-Chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137175136
4-[6-(3-Chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
CID 137175169
3-[4-(2-Chlorophenyl)-6-(3-hydroxyphenyl)-2-pyridinyl]phenol
CID 137637666
3-[4-(3-Chlorophenyl)-6-thiophen-3-yl-2-pyridinyl]phenol
CID 155530811

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The IUPAC name of 3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol (CID 127032918) is 3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol.
What is the SMILES notation for 3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The canonical SMILES for 3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccsc3)cc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of 3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The InChIKey is YUNURCFQNDMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNOS/c22-19-7-2-1-6-18(19)21-12-16(15-8-9-25-13-15)11-20(23-21)14-4-3-5-17(24)10-14/h1-13,24H.
What are the key properties of 3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
3-[6-(2-chlorophenyl)-4-thiophen-3-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 3-[6-(2-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol is sourced from PubChem (CID 127032918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).