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

C21H14ClNOS — CID 127031048

IUPAC3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccsc3)cc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C21H14ClNOS/c22-18-5-1-3-14(9-18)20-11-17(16-7-8-25-13-16)12-21(23-20)15-4-2-6-19(24)10-15/h1-13,24H
InChIKeyBCWIMWBROBYHAI-UHFFFAOYSA-N
MW363.87 g/mol
LogP6.50
Rot. Bonds3

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

3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol (PubChem CID 127031048) has the molecular formula C21H14ClNOS and a molecular weight of 363.87 g/mol. Its IUPAC name is 3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
PubChem CID127031048
Molecular FormulaC21H14ClNOS
Molecular Weight363.87 g/mol
Exact Mass363.05
IUPAC Name3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccsc3)cc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C21H14ClNOS/c22-18-5-1-3-14(9-18)20-11-17(16-7-8-25-13-16)12-21(23-20)15-4-2-6-19(24)10-15/h1-13,24H
InChIKeyBCWIMWBROBYHAI-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(4-Phenyl-6-thiophen-3-yl-2-pyridinyl)phenol
CID 46887132
3-[6-(5-Chloro-2-thienyl)pyridin-2-yl]phenol
CID 46887580
3-(4-Phenyl-6-thiophen-2-yl-2-pyridinyl)phenol
CID 46887131
3-(2-Phenyl-6-thiophen-2-yl-4-pyridinyl)phenol
CID 46887242
3-(2-Phenyl-6-thiophen-3-yl-4-pyridinyl)phenol
CID 46887243
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-(2-Chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
CID 127032918
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The IUPAC name of 3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol (CID 127031048) is 3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol.
What is the SMILES notation for 3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The canonical SMILES for 3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccsc3)cc(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The InChIKey is BCWIMWBROBYHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNOS/c22-18-5-1-3-14(9-18)20-11-17(16-7-8-25-13-16)12-21(23-20)15-4-2-6-19(24)10-15/h1-13,24H.
What are the key properties of 3-[6-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
3-[6-(3-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-(3-chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol is sourced from PubChem (CID 127031048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).