2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine

C10H9Cl2F2NO2 — CID 146013891

IUPAC2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine
SMILESFC(F)(c1cc(Cl)nc(Cl)c1)C1COCCO1
InChIInChI=1S/C10H9Cl2F2NO2/c11-8-3-6(4-9(12)15-8)10(13,14)7-5-16-1-2-17-7/h3-4,7H,1-2,5H2
InChIKeyDWDSVNWPYYTDBV-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.90
Rot. Bonds2

About 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine

2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine (PubChem CID 146013891) has the molecular formula C10H9Cl2F2NO2 and a molecular weight of 284.09 g/mol. Its IUPAC name is 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine
PubChem CID146013891
Molecular FormulaC10H9Cl2F2NO2
Molecular Weight284.09 g/mol
Exact Mass283.00
IUPAC Name2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine
SMILESFC(F)(c1cc(Cl)nc(Cl)c1)C1COCCO1
InChIInChI=1S/C10H9Cl2F2NO2/c11-8-3-6(4-9(12)15-8)10(13,14)7-5-16-1-2-17-7/h3-4,7H,1-2,5H2
InChIKeyDWDSVNWPYYTDBV-UHFFFAOYSA-N
XLogP2.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.90
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 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine?
The IUPAC name of 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine (CID 146013891) is 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine.
What is the SMILES notation for 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine?
The canonical SMILES for 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine is FC(F)(c1cc(Cl)nc(Cl)c1)C1COCCO1.
What is the InChIKey of 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine?
The InChIKey is DWDSVNWPYYTDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2NO2/c11-8-3-6(4-9(12)15-8)10(13,14)7-5-16-1-2-17-7/h3-4,7H,1-2,5H2.
What are the key properties of 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine?
2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine has a molecular weight of 284.09 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[1,4-dioxan-2-yl(difluoro)methyl]pyridine is sourced from PubChem (CID 146013891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).