2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine

C8H10FNS — CID 126480952

IUPAC2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine
SMILESCSc1ccnc(CF)c1C
InChIInChI=1S/C8H10FNS/c1-6-7(5-9)10-4-3-8(6)11-2/h3-4H,5H2,1-2H3
InChIKeyAUQIVQGTLRUQIX-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.58
Rot. Bonds2

About 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine

2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine (PubChem CID 126480952) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine
PubChem CID126480952
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine
SMILESCSc1ccnc(CF)c1C
InChIInChI=1S/C8H10FNS/c1-6-7(5-9)10-4-3-8(6)11-2/h3-4H,5H2,1-2H3
InChIKeyAUQIVQGTLRUQIX-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine?
The IUPAC name of 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine (CID 126480952) is 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine.
What is the SMILES notation for 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine?
The canonical SMILES for 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine is CSc1ccnc(CF)c1C.
What is the InChIKey of 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine?
The InChIKey is AUQIVQGTLRUQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-6-7(5-9)10-4-3-8(6)11-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine?
2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine has a molecular weight of 171.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-methyl-4-methylsulfanylpyridine is sourced from PubChem (CID 126480952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).