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

C13H12Cl2N2S — CID 102924527

IUPAC3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
SMILESCc1cc(C)nc(SCc2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2S/c1-8-5-9(2)16-13(6-8)18-7-11-10(14)3-4-12(15)17-11/h3-6H,7H2,1-2H3
InChIKeyNFGVFLGPOZGVEZ-UHFFFAOYSA-N
MW299.23 g/mol
LogP4.69
Rot. Bonds3

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

3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine (PubChem CID 102924527) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
PubChem CID102924527
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
SMILESCc1cc(C)nc(SCc2nc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H12Cl2N2S/c1-8-5-9(2)16-13(6-8)18-7-11-10(14)3-4-12(15)17-11/h3-6H,7H2,1-2H3
InChIKeyNFGVFLGPOZGVEZ-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

2,6-dichloro-3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
CID 106994859
3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine
CID 62884951
2-[(4-chloro-3-nitrophenyl)methylsulfanyl]-4,6-dimethylpyridine
CID 102924528
3,6-dichloro-2-[(4-chlorophenyl)sulfanylmethyl]pyridine
CID 63536871
3,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 63539043
3,6-dichloro-2-(propan-2-ylsulfanylmethyl)pyridine
CID 62885812
4-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]phenol
CID 55127535
1-[5-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]furan-2-yl]-N-methylmethanamine
CID 102926401
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 102925840
3,6-dichloro-2-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 55127840
3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
CID 55127363

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine (CID 102924527) is 3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine is Cc1cc(C)nc(SCc2nc(Cl)ccc2Cl)c1.
What is the InChIKey of 3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine?
The InChIKey is NFGVFLGPOZGVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c1-8-5-9(2)16-13(6-8)18-7-11-10(14)3-4-12(15)17-11/h3-6H,7H2,1-2H3.
What are the key properties of 3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine?
3,6-dichloro-2-[(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 3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 102924527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).