3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine

C13H11Cl2NS — CID 62884951

IUPAC3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine
SMILESCc1ccccc1SCc1nc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2NS/c1-9-4-2-3-5-12(9)17-8-11-10(14)6-7-13(15)16-11/h2-7H,8H2,1H3
InChIKeyWTWRQFSNZHDTFV-UHFFFAOYSA-N
MW284.21 g/mol
LogP4.99
Rot. Bonds3

About 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine

3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine (PubChem CID 62884951) has the molecular formula C13H11Cl2NS and a molecular weight of 284.21 g/mol. Its IUPAC name is 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine
PubChem CID62884951
Molecular FormulaC13H11Cl2NS
Molecular Weight284.21 g/mol
Exact Mass283.00
IUPAC Name3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine
SMILESCc1ccccc1SCc1nc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2NS/c1-9-4-2-3-5-12(9)17-8-11-10(14)6-7-13(15)16-11/h2-7H,8H2,1H3
InChIKeyWTWRQFSNZHDTFV-UHFFFAOYSA-N
XLogP4.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]-5-propan-2-ylpyrimidine
CID 66094848
4-chloro-6-ethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidine
CID 66094645
3,6-dichloro-2-(propan-2-ylsulfanylmethyl)pyridine
CID 62885812
1,3-dichloro-2-[(2-methylphenyl)sulfanylmethyl]benzene
CID 4991582
3,6-dichloro-2-[(4-chlorophenyl)sulfanylmethyl]pyridine
CID 63536871
3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
CID 102924527
3,6-dichloro-2-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
CID 55127363
3,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 63539043
4-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]phenol
CID 55127535
2-chloro-4-[(2-methylphenyl)sulfanylmethyl]pyridine
CID 62298564
3,6-dichloro-2-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 55127840
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline
CID 63481554

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine (CID 62884951) is 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine is Cc1ccccc1SCc1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine?
The InChIKey is WTWRQFSNZHDTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NS/c1-9-4-2-3-5-12(9)17-8-11-10(14)6-7-13(15)16-11/h2-7H,8H2,1H3.
What are the key properties of 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine?
3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine has a molecular weight of 284.21 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(2-methylphenyl)sulfanylmethyl]pyridine is sourced from PubChem (CID 62884951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).