2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine

C10H10Cl3NOS — CID 107750991

IUPAC2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine
SMILESCC1OCCC1Sc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NOS/c1-5-8(2-3-15-5)16-10-7(12)4-6(11)9(13)14-10/h4-5,8H,2-3H2,1H3
InChIKeyIZPMXHUREYKIEA-UHFFFAOYSA-N
MW298.62 g/mol
LogP4.31
Rot. Bonds2

About 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine

2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine (PubChem CID 107750991) has the molecular formula C10H10Cl3NOS and a molecular weight of 298.62 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine
PubChem CID107750991
Molecular FormulaC10H10Cl3NOS
Molecular Weight298.62 g/mol
Exact Mass296.95
IUPAC Name2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine
SMILESCC1OCCC1Sc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NOS/c1-5-8(2-3-15-5)16-10-7(12)4-6(11)9(13)14-10/h4-5,8H,2-3H2,1H3
InChIKeyIZPMXHUREYKIEA-UHFFFAOYSA-N
XLogP4.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.62
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine?
The IUPAC name of 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine (CID 107750991) is 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine?
The canonical SMILES for 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine is CC1OCCC1Sc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine?
The InChIKey is IZPMXHUREYKIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NOS/c1-5-8(2-3-15-5)16-10-7(12)4-6(11)9(13)14-10/h4-5,8H,2-3H2,1H3.
What are the key properties of 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine?
2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine has a molecular weight of 298.62 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine is sourced from PubChem (CID 107750991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).