[6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite

C12H8ClF2NOS — CID 156872496

IUPAC[6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite
SMILESCc1cc(Cl)nc(-c2ccc(F)cc2)c1OSF
InChIInChI=1S/C12H8ClF2NOS/c1-7-6-10(13)16-11(12(7)17-18-15)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyVRDRMWGHKXENKV-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.76
Rot. Bonds3

About [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite

[6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite (PubChem CID 156872496) has the molecular formula C12H8ClF2NOS and a molecular weight of 287.72 g/mol. Its IUPAC name is [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite.

Molecular Properties

Compound Name[6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite
PubChem CID156872496
Molecular FormulaC12H8ClF2NOS
Molecular Weight287.72 g/mol
Exact Mass287.00
IUPAC Name[6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite
SMILESCc1cc(Cl)nc(-c2ccc(F)cc2)c1OSF
InChIInChI=1S/C12H8ClF2NOS/c1-7-6-10(13)16-11(12(7)17-18-15)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyVRDRMWGHKXENKV-UHFFFAOYSA-N
XLogP4.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite?
The IUPAC name of [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite (CID 156872496) is [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite.
What is the SMILES notation for [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite?
The canonical SMILES for [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite is Cc1cc(Cl)nc(-c2ccc(F)cc2)c1OSF.
What is the InChIKey of [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite?
The InChIKey is VRDRMWGHKXENKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NOS/c1-7-6-10(13)16-11(12(7)17-18-15)8-2-4-9(14)5-3-8/h2-6H,1H3.
What are the key properties of [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite?
[6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite has a molecular weight of 287.72 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(4-fluorophenyl)-4-methyl-3-pyridinyl]oxy thiohypofluorite is sourced from PubChem (CID 156872496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).