2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine

C8Br2F9N — CID 11123076

IUPAC2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFc1c(Br)nc(Br)c(F)c1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8Br2F9N/c9-4-2(11)1(3(12)5(10)20-4)6(13,7(14,15)16)8(17,18)19
InChIKeyZDEYVBLXIHORIG-UHFFFAOYSA-N
MW440.89 g/mol
LogP5.17
Rot. Bonds1

About 2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine

2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (PubChem CID 11123076) has the molecular formula C8Br2F9N and a molecular weight of 440.89 g/mol. Its IUPAC name is 2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.

Molecular Properties

Compound Name2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
PubChem CID11123076
Molecular FormulaC8Br2F9N
Molecular Weight440.89 g/mol
Exact Mass438.83
IUPAC Name2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFc1c(Br)nc(Br)c(F)c1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8Br2F9N/c9-4-2(11)1(3(12)5(10)20-4)6(13,7(14,15)16)8(17,18)19
InChIKeyZDEYVBLXIHORIG-UHFFFAOYSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.89
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The IUPAC name of 2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (CID 11123076) is 2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.
What is the SMILES notation for 2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The canonical SMILES for 2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is Fc1c(Br)nc(Br)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The InChIKey is ZDEYVBLXIHORIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Br2F9N/c9-4-2(11)1(3(12)5(10)20-4)6(13,7(14,15)16)8(17,18)19.
What are the key properties of 2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine has a molecular weight of 440.89 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is sourced from PubChem (CID 11123076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).