2-chloro-6-methyl-3-methylsulfanylpyridine

C7H8ClNS — CID 175318056

IUPAC2-chloro-6-methyl-3-methylsulfanylpyridine
SMILESCSc1ccc(C)nc1Cl
InChIInChI=1S/C7H8ClNS/c1-5-3-4-6(10-2)7(8)9-5/h3-4H,1-2H3
InChIKeyACZMERJOZNELQH-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.77
Rot. Bonds1

About 2-chloro-6-methyl-3-methylsulfanylpyridine

2-chloro-6-methyl-3-methylsulfanylpyridine (PubChem CID 175318056) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 2-chloro-6-methyl-3-methylsulfanylpyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-3-methylsulfanylpyridine
PubChem CID175318056
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name2-chloro-6-methyl-3-methylsulfanylpyridine
SMILESCSc1ccc(C)nc1Cl
InChIInChI=1S/C7H8ClNS/c1-5-3-4-6(10-2)7(8)9-5/h3-4H,1-2H3
InChIKeyACZMERJOZNELQH-UHFFFAOYSA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.77
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

2-chloro-6-methylpyridine-3-sulfonyl chloride
CID 55280564
2-chloro-6-methyl-3-methylsulfonylpyridine
CID 174895509
2-chloro-6-methyl-3-pyridin-4-ylpyridine
CID 46315353
2-chloro-N-ethenyl-6-methylpyridin-3-amine
CID 91844885
6-bromo-2-methyl-3-methylsulfanylpyridine
CID 175568544
2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride
CID 87764222
2-chloro-3-isothiocyanato-6-methylpyridine
CID 83290701
2-[(4-chloro-2-fluorophenyl)disulfanyl]-4-methylpyrimidine
CID 54291000
6-bromo-2-methyl-3-methylsulfanylpyridine;hydrochloride
CID 175568543
3-chloro-2-methyl-4-methylsulfanylpyridine
CID 167047809
3-chloro-2-(difluoromethyl)-6-methylpyridine
CID 130095432
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-3-methylsulfanylpyridine?
The IUPAC name of 2-chloro-6-methyl-3-methylsulfanylpyridine (CID 175318056) is 2-chloro-6-methyl-3-methylsulfanylpyridine.
What is the SMILES notation for 2-chloro-6-methyl-3-methylsulfanylpyridine?
The canonical SMILES for 2-chloro-6-methyl-3-methylsulfanylpyridine is CSc1ccc(C)nc1Cl.
What is the InChIKey of 2-chloro-6-methyl-3-methylsulfanylpyridine?
The InChIKey is ACZMERJOZNELQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-5-3-4-6(10-2)7(8)9-5/h3-4H,1-2H3.
What are the key properties of 2-chloro-6-methyl-3-methylsulfanylpyridine?
2-chloro-6-methyl-3-methylsulfanylpyridine has a molecular weight of 173.67 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-3-methylsulfanylpyridine is sourced from PubChem (CID 175318056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).