3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine

C13H10Cl3NOS — CID 581565

IUPAC3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine
SMILESCc1nc(C)c(Cl)c(S(=O)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C13H10Cl3NOS/c1-7-11(15)13(12(16)8(2)17-7)19(18)10-5-3-9(14)4-6-10/h3-6H,1-2H3
InChIKeyHZWKLHOAUKAOES-UHFFFAOYSA-N
MW334.66 g/mol
LogP4.83
Rot. Bonds2

About 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine

3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine (PubChem CID 581565) has the molecular formula C13H10Cl3NOS and a molecular weight of 334.66 g/mol. Its IUPAC name is 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine.

Molecular Properties

Compound Name3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine
PubChem CID581565
Molecular FormulaC13H10Cl3NOS
Molecular Weight334.66 g/mol
Exact Mass332.95
IUPAC Name3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine
SMILESCc1nc(C)c(Cl)c(S(=O)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C13H10Cl3NOS/c1-7-11(15)13(12(16)8(2)17-7)19(18)10-5-3-9(14)4-6-10/h3-6H,1-2H3
InChIKeyHZWKLHOAUKAOES-UHFFFAOYSA-N
XLogP4.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.66
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine?
The IUPAC name of 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine (CID 581565) is 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine.
What is the SMILES notation for 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine?
The canonical SMILES for 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine is Cc1nc(C)c(Cl)c(S(=O)c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine?
The InChIKey is HZWKLHOAUKAOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NOS/c1-7-11(15)13(12(16)8(2)17-7)19(18)10-5-3-9(14)4-6-10/h3-6H,1-2H3.
What are the key properties of 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine?
3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine has a molecular weight of 334.66 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4-chlorophenyl)sulfinyl-2,6-dimethylpyridine is sourced from PubChem (CID 581565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).