2-(difluoromethylsulfanyl)-3-methylpyridine

C7H7F2NS — CID 145376721

IUPAC2-(difluoromethylsulfanyl)-3-methylpyridine
SMILESCc1cccnc1SC(F)F
InChIInChI=1S/C7H7F2NS/c1-5-3-2-4-10-6(5)11-7(8)9/h2-4,7H,1H3
InChIKeyMCHIQHCGEPVIJZ-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.70
Rot. Bonds2

About 2-(difluoromethylsulfanyl)-3-methylpyridine

2-(difluoromethylsulfanyl)-3-methylpyridine (PubChem CID 145376721) has the molecular formula C7H7F2NS and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-3-methylpyridine
PubChem CID145376721
Molecular FormulaC7H7F2NS
Molecular Weight175.20 g/mol
Exact Mass175.03
IUPAC Name2-(difluoromethylsulfanyl)-3-methylpyridine
SMILESCc1cccnc1SC(F)F
InChIInChI=1S/C7H7F2NS/c1-5-3-2-4-10-6(5)11-7(8)9/h2-4,7H,1H3
InChIKeyMCHIQHCGEPVIJZ-UHFFFAOYSA-N
XLogP2.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethylsulfanyl)-3-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-difluoroethylsulfanyl)-3-methylpyridine
CID 131020461
(3-methyl-2-pyridinyl) thiohypofluorite
CID 145413096
3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol
CID 66136520
propan-2-yl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55475285
2-[(3-methyl-2-pyridinyl)sulfanyl]-3-phenylpropanoic acid
CID 62253887
methyl 3-[(3-methyl-2-pyridinyl)sulfanyl]-4-oxopentanoate
CID 155298465
ethane;2-(1-fluoroethoxy)-3-methylpyridine
CID 177038890
2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide
CID 24547275
2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18128699
(2-oxo-2-propan-2-yloxyethyl) 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55479792
2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide
CID 55934068
(3-methyl-2-pyridinyl) carbamimidothioate
CID 155230564

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-3-methylpyridine?
The IUPAC name of 2-(difluoromethylsulfanyl)-3-methylpyridine (CID 145376721) is 2-(difluoromethylsulfanyl)-3-methylpyridine.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-3-methylpyridine?
The canonical SMILES for 2-(difluoromethylsulfanyl)-3-methylpyridine is Cc1cccnc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-3-methylpyridine?
The InChIKey is MCHIQHCGEPVIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NS/c1-5-3-2-4-10-6(5)11-7(8)9/h2-4,7H,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-3-methylpyridine?
2-(difluoromethylsulfanyl)-3-methylpyridine has a molecular weight of 175.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-3-methylpyridine is sourced from PubChem (CID 145376721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).