2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol

C21H15N3OS — CID 153280568

IUPAC2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol
SMILESOc1ccccc1-c1cncc(-c2cccc(Sc3ccccn3)n2)c1
InChIInChI=1S/C21H15N3OS/c25-19-8-2-1-6-17(19)15-12-16(14-22-13-15)18-7-5-10-21(24-18)26-20-9-3-4-11-23-20/h1-14,25H
InChIKeyKFDBUSBLGMUIKJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP5.06
Rot. Bonds4

About 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol

2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol (PubChem CID 153280568) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol
PubChem CID153280568
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol
SMILESOc1ccccc1-c1cncc(-c2cccc(Sc3ccccn3)n2)c1
InChIInChI=1S/C21H15N3OS/c25-19-8-2-1-6-17(19)15-12-16(14-22-13-15)18-7-5-10-21(24-18)26-20-9-3-4-11-23-20/h1-14,25H
InChIKeyKFDBUSBLGMUIKJ-UHFFFAOYSA-N
XLogP5.06
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

platinum;2-[6-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]phenol
CID 153280473
2-[6-phenyl-4-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3H-pyridin-3-id-2-yl]phenol;platinum
CID 153280455
2-[2-phenyl-5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]benzenethiol
CID 153280367
2-[3,5-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;3-[3,5-bis(5-pyridin-2-yl-3-pyridinyl)phenyl]-5-pyridin-2-ylpyridine;2-[3,5-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 162168148
2-[4-(2,6-dimethyl-4-pyridinyl)-6-[3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylsulfanylphenyl]-2-pyridinyl]phenol
CID 153304036
platinum;2-[6-(3-pyridin-2-ylsulfanylbenzene-2-id-1-yl)-2-pyridinyl]phenol
CID 153304165
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
2-fluoro-6-pyridin-2-ylsulfanylpyridine
CID 61228221
2-[3-[6-[diphenyl(pyridin-2-yl)methyl]-2-pyridinyl]phenyl]phenol
CID 140805992
2-[6-(3-tert-butyl-5-pyridin-2-ylsulfanylphenyl)-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 153304018
2-tert-butyl-6-[4-(3-pyridin-2-ylsulfanylphenyl)pyrimidin-2-yl]phenol
CID 153280198
2-[6-(3-benzyl-5-pyridin-2-ylphenyl)-2-pyridinyl]phenol
CID 164743046

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol?
The IUPAC name of 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol (CID 153280568) is 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol?
The canonical SMILES for 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol is Oc1ccccc1-c1cncc(-c2cccc(Sc3ccccn3)n2)c1.
What is the InChIKey of 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol?
The InChIKey is KFDBUSBLGMUIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-19-8-2-1-6-17(19)15-12-16(14-22-13-15)18-7-5-10-21(24-18)26-20-9-3-4-11-23-20/h1-14,25H.
What are the key properties of 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol?
2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol has a molecular weight of 357.44 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-pyridin-2-ylsulfanyl-2-pyridinyl)-3-pyridinyl]phenol is sourced from PubChem (CID 153280568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).