4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine

C22H17N3S — CID 123898287

IUPAC4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine
SMILESCSc1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1
InChIInChI=1S/C22H17N3S/c1-26-20-4-2-16(3-5-20)19-14-21(17-6-10-23-11-7-17)25-22(15-19)18-8-12-24-13-9-18/h2-15H,1H3
InChIKeyUVVMOMFAQZTCLK-UHFFFAOYSA-N
MW355.47 g/mol
LogP5.59
Rot. Bonds4

About 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine

4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine (PubChem CID 123898287) has the molecular formula C22H17N3S and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine
PubChem CID123898287
Molecular FormulaC22H17N3S
Molecular Weight355.47 g/mol
Exact Mass355.11
IUPAC Name4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine
SMILESCSc1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1
InChIInChI=1S/C22H17N3S/c1-26-20-4-2-16(3-5-20)19-14-21(17-6-10-23-11-7-17)25-22(15-19)18-8-12-24-13-9-18/h2-15H,1H3
InChIKeyUVVMOMFAQZTCLK-UHFFFAOYSA-N
XLogP5.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4,4',4'',4'''-(Thiene-2,3,4,5-tetrayl)tetrapyridine
CID 253078
Quinoline, 4-(p-(methylthio)styryl)-
CID 5900081
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
1-Methyl-4-(3-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
CID 49781449
1-Methyl-4-(3-pyridin-3-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
CID 49781450
1-Methyl-4-(3-pyridin-4-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
CID 49781451
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
3-[2-(4-Tert-butylphenyl)sulfanylethyl]pyridine
CID 912284
3-Benzylsulfanyl-6-pyridin-3-ylpyridazine
CID 7207304

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine?
The IUPAC name of 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine (CID 123898287) is 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine?
The canonical SMILES for 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine is CSc1ccc(-c2cc(-c3ccncc3)nc(-c3ccncc3)c2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine?
The InChIKey is UVVMOMFAQZTCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3S/c1-26-20-4-2-16(3-5-20)19-14-21(17-6-10-23-11-7-17)25-22(15-19)18-8-12-24-13-9-18/h2-15H,1H3.
What are the key properties of 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine?
4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine has a molecular weight of 355.47 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)-2,6-dipyridin-4-ylpyridine is sourced from PubChem (CID 123898287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).