2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine

C8H7Cl2F2NO — CID 167259603

IUPAC2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine
SMILESCOCC(F)(F)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C8H7Cl2F2NO/c1-14-4-8(11,12)5-2-6(9)13-7(10)3-5/h2-3H,4H2,1H3
InChIKeyKPJKYJQOWSEFCE-UHFFFAOYSA-N
MW242.05 g/mol
LogP3.13
Rot. Bonds3

About 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine

2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine (PubChem CID 167259603) has the molecular formula C8H7Cl2F2NO and a molecular weight of 242.05 g/mol. Its IUPAC name is 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine
PubChem CID167259603
Molecular FormulaC8H7Cl2F2NO
Molecular Weight242.05 g/mol
Exact Mass240.99
IUPAC Name2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine
SMILESCOCC(F)(F)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C8H7Cl2F2NO/c1-14-4-8(11,12)5-2-6(9)13-7(10)3-5/h2-3H,4H2,1H3
InChIKeyKPJKYJQOWSEFCE-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 53.13
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 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine?
The IUPAC name of 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine (CID 167259603) is 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine is COCC(F)(F)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine?
The InChIKey is KPJKYJQOWSEFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2NO/c1-14-4-8(11,12)5-2-6(9)13-7(10)3-5/h2-3H,4H2,1H3.
What are the key properties of 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine?
2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine has a molecular weight of 242.05 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1,1-difluoro-2-methoxyethyl)pyridine is sourced from PubChem (CID 167259603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).