[2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite

C8H10FNOS — CID 129170368

IUPAC[2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite
SMILESCc1ccnc(C(C)O)c1SF
InChIInChI=1S/C8H10FNOS/c1-5-3-4-10-7(6(2)11)8(5)12-9/h3-4,6,11H,1-2H3
InChIKeyQYCLHQULOKMQDM-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.42
Rot. Bonds2

About [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite

[2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite (PubChem CID 129170368) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite.

Molecular Properties

Compound Name[2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite
PubChem CID129170368
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name[2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite
SMILESCc1ccnc(C(C)O)c1SF
InChIInChI=1S/C8H10FNOS/c1-5-3-4-10-7(6(2)11)8(5)12-9/h3-4,6,11H,1-2H3
InChIKeyQYCLHQULOKMQDM-UHFFFAOYSA-N
XLogP2.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite?
The IUPAC name of [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite (CID 129170368) is [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite.
What is the SMILES notation for [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite?
The canonical SMILES for [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite is Cc1ccnc(C(C)O)c1SF.
What is the InChIKey of [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite?
The InChIKey is QYCLHQULOKMQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-5-3-4-10-7(6(2)11)8(5)12-9/h3-4,6,11H,1-2H3.
What are the key properties of [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite?
[2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite has a molecular weight of 187.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxyethyl)-4-methyl-3-pyridinyl] thiohypofluorite is sourced from PubChem (CID 129170368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).