[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol

C9H10F3NOS — CID 118324907

IUPAC[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCCSc1cc(C(F)(F)F)cnc1CO
InChIInChI=1S/C9H10F3NOS/c1-2-15-8-3-6(9(10,11)12)4-13-7(8)5-14/h3-4,14H,2,5H2,1H3
InChIKeyJHPWQBBZXRBONB-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.70
Rot. Bonds3

About [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol

[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 118324907) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID118324907
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESCCSc1cc(C(F)(F)F)cnc1CO
InChIInChI=1S/C9H10F3NOS/c1-2-15-8-3-6(9(10,11)12)4-13-7(8)5-14/h3-4,14H,2,5H2,1H3
InChIKeyJHPWQBBZXRBONB-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol (CID 118324907) is [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol is CCSc1cc(C(F)(F)F)cnc1CO.
What is the InChIKey of [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is JHPWQBBZXRBONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-2-15-8-3-6(9(10,11)12)4-13-7(8)5-14/h3-4,14H,2,5H2,1H3.
What are the key properties of [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol?
[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 237.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118324907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).