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

C8HBrF9N — CID 11046649

IUPAC2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFc1cnc(Br)c(F)c1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HBrF9N/c9-5-4(11)3(2(10)1-19-5)6(12,7(13,14)15)8(16,17)18/h1H
InChIKeyISFBEIIYPZXCDM-UHFFFAOYSA-N
MW361.99 g/mol
LogP4.41
Rot. Bonds1

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

2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (PubChem CID 11046649) has the molecular formula C8HBrF9N and a molecular weight of 361.99 g/mol. Its IUPAC name is 2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
PubChem CID11046649
Molecular FormulaC8HBrF9N
Molecular Weight361.99 g/mol
Exact Mass360.91
IUPAC Name2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
SMILESFc1cnc(Br)c(F)c1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8HBrF9N/c9-5-4(11)3(2(10)1-19-5)6(12,7(13,14)15)8(16,17)18/h1H
InChIKeyISFBEIIYPZXCDM-UHFFFAOYSA-N
XLogP4.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.99
LogP ≤ 54.41
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-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The IUPAC name of 2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine (CID 11046649) is 2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine.
What is the SMILES notation for 2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The canonical SMILES for 2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is Fc1cnc(Br)c(F)c1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
The InChIKey is ISFBEIIYPZXCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HBrF9N/c9-5-4(11)3(2(10)1-19-5)6(12,7(13,14)15)8(16,17)18/h1H.
What are the key properties of 2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine?
2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine has a molecular weight of 361.99 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-difluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine is sourced from PubChem (CID 11046649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).