2,6-bis(difluoromethyl)pyridine

C7H5F4N — CID 68586040

IUPAC2,6-bis(difluoromethyl)pyridine
SMILESFC(F)c1cccc(C(F)F)n1
InChIInChI=1S/C7H5F4N/c8-6(9)4-2-1-3-5(12-4)7(10)11/h1-3,6-7H
InChIKeyMYIMKFDVKGURIL-UHFFFAOYSA-N
MW179.12 g/mol
LogP2.96
Rot. Bonds2

About 2,6-bis(difluoromethyl)pyridine

2,6-bis(difluoromethyl)pyridine (PubChem CID 68586040) has the molecular formula C7H5F4N and a molecular weight of 179.12 g/mol. Its IUPAC name is 2,6-bis(difluoromethyl)pyridine.

Molecular Properties

Compound Name2,6-bis(difluoromethyl)pyridine
PubChem CID68586040
Molecular FormulaC7H5F4N
Molecular Weight179.12 g/mol
Exact Mass179.04
IUPAC Name2,6-bis(difluoromethyl)pyridine
SMILESFC(F)c1cccc(C(F)F)n1
InChIInChI=1S/C7H5F4N/c8-6(9)4-2-1-3-5(12-4)7(10)11/h1-3,6-7H
InChIKeyMYIMKFDVKGURIL-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(difluoromethyl)pyridine?
The IUPAC name of 2,6-bis(difluoromethyl)pyridine (CID 68586040) is 2,6-bis(difluoromethyl)pyridine.
What is the SMILES notation for 2,6-bis(difluoromethyl)pyridine?
The canonical SMILES for 2,6-bis(difluoromethyl)pyridine is FC(F)c1cccc(C(F)F)n1.
What is the InChIKey of 2,6-bis(difluoromethyl)pyridine?
The InChIKey is MYIMKFDVKGURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N/c8-6(9)4-2-1-3-5(12-4)7(10)11/h1-3,6-7H.
What are the key properties of 2,6-bis(difluoromethyl)pyridine?
2,6-bis(difluoromethyl)pyridine has a molecular weight of 179.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(difluoromethyl)pyridine is sourced from PubChem (CID 68586040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).