2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine

C13H12Cl2N2S — CID 106994859

IUPAC2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
SMILESCc1cc(C)nc(SCc2ccc(Cl)nc2Cl)c1
InChIInChI=1S/C13H12Cl2N2S/c1-8-5-9(2)16-12(6-8)18-7-10-3-4-11(14)17-13(10)15/h3-6H,7H2,1-2H3
InChIKeyMQFSEWJFJSLZMR-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.69
Rot. Bonds3

About 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine

2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine (PubChem CID 106994859) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
PubChem CID106994859
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
SMILESCc1cc(C)nc(SCc2ccc(Cl)nc2Cl)c1
InChIInChI=1S/C13H12Cl2N2S/c1-8-5-9(2)16-12(6-8)18-7-10-3-4-11(14)17-13(10)15/h3-6H,7H2,1-2H3
InChIKeyMQFSEWJFJSLZMR-UHFFFAOYSA-N
XLogP4.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-3-[(3-chlorophenyl)sulfonyl]-4,6-dimethylpyridine
CID 1488384
3-(Benzylsulfonyl)-2-chloro-4,6-dimethylpyridine
CID 1479287
2-[(2-Chlorobenzyl)sulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile
CID 755835
2-Chloro-3-[(4-chlorophenyl)sulfonyl]-4,6-dimethylpyridine
CID 1488385
2-[(4-Chlorophenyl)sulfanyl]-4,6-dimethyl-3-pyridinyl methyl sulfone
CID 1484383
2-[(4-Chlorophenyl)sulfinyl]-4,6-dimethyl-3-pyridinyl methyl sulfone
CID 1484392
4-Chlorophenyl 4,6-dimethyl-3-(methylsulfonyl)-2-pyridinyl sulfone
CID 1484393
2-[(2-Chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile
CID 691476
Nicotinonitrile, 5-chloro-2-(4-chlorobenzylsulfanyl)-4,6-dimethyl-
CID 714283
2-(Benzylsulfanyl)-5-chloro-4,6-dimethylpyridine-3-carbonitrile
CID 561451
2-{[(4-Chlorophenyl)methyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
CID 691477
Pyridine, 2,2'-(dithiodimethylene)bis(6-chloro-
CID 3088794

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine (CID 106994859) is 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine is Cc1cc(C)nc(SCc2ccc(Cl)nc2Cl)c1.
What is the InChIKey of 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine?
The InChIKey is MQFSEWJFJSLZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c1-8-5-9(2)16-12(6-8)18-7-10-3-4-11(14)17-13(10)15/h3-6H,7H2,1-2H3.
What are the key properties of 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine?
2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine has a molecular weight of 299.23 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 106994859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).