2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol

C9H10F3NOS — CID 2779726

IUPAC2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol
SMILESCc1cc(C(F)(F)F)cc(SCCO)n1
InChIInChI=1S/C9H10F3NOS/c1-6-4-7(9(10,11)12)5-8(13-6)15-3-2-14/h4-5,14H,2-3H2,1H3
InChIKeyRQZLNKRENUYFHU-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.49
Rot. Bonds3

About 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol

2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol (PubChem CID 2779726) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol
PubChem CID2779726
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol
SMILESCc1cc(C(F)(F)F)cc(SCCO)n1
InChIInChI=1S/C9H10F3NOS/c1-6-4-7(9(10,11)12)5-8(13-6)15-3-2-14/h4-5,14H,2-3H2,1H3
InChIKeyRQZLNKRENUYFHU-UHFFFAOYSA-N
XLogP2.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol?
The IUPAC name of 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol (CID 2779726) is 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol?
The canonical SMILES for 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol is Cc1cc(C(F)(F)F)cc(SCCO)n1.
What is the InChIKey of 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol?
The InChIKey is RQZLNKRENUYFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-6-4-7(9(10,11)12)5-8(13-6)15-3-2-14/h4-5,14H,2-3H2,1H3.
What are the key properties of 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol?
2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol has a molecular weight of 237.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanol is sourced from PubChem (CID 2779726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).