4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine

C20H14N4OS — CID 141152601

IUPAC4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine
SMILESc1ccc(Oc2c(-c3ccccn3)ccnc2Sc2ccccn2)nc1
InChIInChI=1S/C20H14N4OS/c1-4-11-21-16(7-1)15-10-14-24-20(26-18-9-3-6-13-23-18)19(15)25-17-8-2-5-12-22-17/h1-14H
InChIKeyCACLAPMNXQBZEL-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.88
Rot. Bonds5

About 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine

4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine (PubChem CID 141152601) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine.

Molecular Properties

Compound Name4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine
PubChem CID141152601
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine
SMILESc1ccc(Oc2c(-c3ccccn3)ccnc2Sc2ccccn2)nc1
InChIInChI=1S/C20H14N4OS/c1-4-11-21-16(7-1)15-10-14-24-20(26-18-9-3-6-13-23-18)19(15)25-17-8-2-5-12-22-17/h1-14H
InChIKeyCACLAPMNXQBZEL-UHFFFAOYSA-N
XLogP4.88
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Dipyridin-3-ylmethoxy)-2-(2,4,5-trifluorophenyl)pyridine
CID 24760484
3-(2-Methylsulfanylphenyl)-2-[6-(trifluoromethyl)pyridin-3-yl]oxypyridine
CID 135235810
2-[2-[[6-(1,1-Difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-diethylpyridine
CID 135246520
2-(1,1-Difluoroethyl)-5-[[3-(6-ethyl-2-pyridinyl)-2-pyridinyl]oxy]pyridine
CID 135246532
5-Pyridin-2-ylsulfanyl-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 141340642
4-Pyridin-3-yloxy-2-[2-(trifluoromethyl)pyridin-4-yl]pyridine
CID 141419409
2-(4-Fluorophenyl)sulfanyl-3-[5-(trifluoromethyl)pyridin-2-yl]oxypyridine
CID 146289378
4-[[5-(6-Phenoxypyridin-3-yl)pyridin-2-yl]methylsulfanyl]-2-(trifluoromethyl)pyridine
CID 146291224
2-(4-Fluorophenyl)-4-(5-methoxy-3-pyridinyl)-5-pyridin-4-yl-1,3-thiazole
CID 152325868
N-[1-[5-(1-fluoroethyl)-2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-4-methyl-3-pyridinyl]ethenyl]-2-methylsulfanylpyridin-4-amine
CID 171072194
4-[3-(2-Fluorobutoxy)-2-pyridinyl]-2-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176204780
4-[5-(2-Fluorobutoxy)-2-pyridinyl]-6-(pyridin-2-ylmethylsulfanyl)pyridin-2-amine
CID 176204830

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine?
The IUPAC name of 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine (CID 141152601) is 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine.
What is the SMILES notation for 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine?
The canonical SMILES for 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine is c1ccc(Oc2c(-c3ccccn3)ccnc2Sc2ccccn2)nc1.
What is the InChIKey of 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine?
The InChIKey is CACLAPMNXQBZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-4-11-21-16(7-1)15-10-14-24-20(26-18-9-3-6-13-23-18)19(15)25-17-8-2-5-12-22-17/h1-14H.
What are the key properties of 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine?
4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine has a molecular weight of 358.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-3-pyridin-2-yloxy-2-pyridin-2-ylsulfanylpyridine is sourced from PubChem (CID 141152601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).