2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine

C8H6Cl3F2NO — CID 164674941

IUPAC2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine
SMILESFC(F)CCOc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3F2NO/c9-4-3-5(10)8(14-7(4)11)15-2-1-6(12)13/h3,6H,1-2H2
InChIKeyMXPWWKNISZKEBD-UHFFFAOYSA-N
MW276.50 g/mol
LogP4.08
Rot. Bonds4

About 2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine

2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine (PubChem CID 164674941) has the molecular formula C8H6Cl3F2NO and a molecular weight of 276.50 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine
PubChem CID164674941
Molecular FormulaC8H6Cl3F2NO
Molecular Weight276.50 g/mol
Exact Mass274.95
IUPAC Name2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine
SMILESFC(F)CCOc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H6Cl3F2NO/c9-4-3-5(10)8(14-7(4)11)15-2-1-6(12)13/h3,6H,1-2H2
InChIKeyMXPWWKNISZKEBD-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3,3-difluoropropoxy)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine (CID 164674941) is 2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine is FC(F)CCOc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine?
The InChIKey is MXPWWKNISZKEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3F2NO/c9-4-3-5(10)8(14-7(4)11)15-2-1-6(12)13/h3,6H,1-2H2.
What are the key properties of 2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine?
2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine has a molecular weight of 276.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(3,3-difluoropropoxy)pyridine is sourced from PubChem (CID 164674941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).