4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine

C8H8F3NS — CID 141413257

IUPAC4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine
SMILESCSCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NS/c1-13-5-6-2-3-12-7(4-6)8(9,10)11/h2-4H,5H2,1H3
InChIKeyDUPDCQBDMRSILA-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.96
Rot. Bonds2

About 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine

4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine (PubChem CID 141413257) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine
PubChem CID141413257
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine
SMILESCSCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C8H8F3NS/c1-13-5-6-2-3-12-7(4-6)8(9,10)11/h2-4H,5H2,1H3
InChIKeyDUPDCQBDMRSILA-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
CID 155858331
2-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propan-2-amine
CID 155163777
N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine
CID 114270158
2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol
CID 162542141
4-(methylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63884403
2-cyclopropyl-4-(methylsulfanylmethyl)pyridine
CID 170105067
4-fluoro-2-(trifluoromethyl)pyridine
CID 44891496
1-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]ethanamine
CID 146144972
2-(trifluoromethyl)pyridin-4-amine
CID 10261388
4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine
CID 123811453
N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine
CID 175103216
1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropyl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 160973620

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine (CID 141413257) is 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine is CSCc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is DUPDCQBDMRSILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c1-13-5-6-2-3-12-7(4-6)8(9,10)11/h2-4H,5H2,1H3.
What are the key properties of 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine?
4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 207.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 141413257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).