6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile

C25H16Cl2N2OS — CID 46890573

IUPAC6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C25H16Cl2N2OS/c1-30-25-21(15-28)22(16-5-3-2-4-6-16)24(31-20-13-11-19(27)12-14-20)23(29-25)17-7-9-18(26)10-8-17/h2-14H,1H3
InChIKeyLDZPUKOKPUNFAR-UHFFFAOYSA-N
MW463.39 g/mol
LogP7.75
Rot. Bonds5

About 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile

6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile (PubChem CID 46890573) has the molecular formula C25H16Cl2N2OS and a molecular weight of 463.39 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile
PubChem CID46890573
Molecular FormulaC25H16Cl2N2OS
Molecular Weight463.39 g/mol
Exact Mass462.04
IUPAC Name6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C25H16Cl2N2OS/c1-30-25-21(15-28)22(16-5-3-2-4-6-16)24(31-20-13-11-19(27)12-14-20)23(29-25)17-7-9-18(26)10-8-17/h2-14H,1H3
InChIKeyLDZPUKOKPUNFAR-UHFFFAOYSA-N
XLogP7.75
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-ethoxy-5-(4-methylphenyl)sulfanylpyridine-3-carbonitrile
CID 46890398
4-methoxy-6,12,13-triphenyl-8-thia-3,10,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5-carbonitrile
CID 44604731
2-amino-6-methoxy-4-(3-phenylphenyl)pyridine-3,5-dicarbonitrile
CID 170319410
5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
CID 4269272
3-(4-chlorophenyl)sulfanyl-2-phenylquinoline-4-carboxylic acid
CID 3762674
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-(4-chlorophenyl)sulfanyl-4-methoxypyridine-3-carbonitrile
CID 1470971
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 10641600
4-(4-chlorophenyl)-6-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-2-methoxypyridine-3-carbonitrile
CID 135753499
6-(4-chlorophenyl)-2-(2,6-dimethoxyphenoxy)-5-methylsulfonylpyridine-3-carbonitrile
CID 4178652
3-(4-methoxyphenyl)-1-methyl-4-phenylsulfanylisoquinoline
CID 138974013
5-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-phenyl-1,3-oxazole
CID 139183533

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile (CID 46890573) is 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile is COc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c(-c2ccccc2)c1C#N.
What is the InChIKey of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile?
The InChIKey is LDZPUKOKPUNFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2OS/c1-30-25-21(15-28)22(16-5-3-2-4-6-16)24(31-20-13-11-19(27)12-14-20)23(29-25)17-7-9-18(26)10-8-17/h2-14H,1H3.
What are the key properties of 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile?
6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile has a molecular weight of 463.39 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-methoxy-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 46890573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).