5-bromo-2-(1,1-difluoroethyl)pyridine

C7H6BrF2N — CID 118395151

IUPAC5-bromo-2-(1,1-difluoroethyl)pyridine
SMILESCC(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C7H6BrF2N/c1-7(9,10)6-3-2-5(8)4-11-6/h2-4H,1H3
InChIKeyZYNXBMCRNNKASB-UHFFFAOYSA-N
MW222.03 g/mol
LogP2.96
Rot. Bonds1

About 5-bromo-2-(1,1-difluoroethyl)pyridine

5-bromo-2-(1,1-difluoroethyl)pyridine (PubChem CID 118395151) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is 5-bromo-2-(1,1-difluoroethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1,1-difluoroethyl)pyridine
PubChem CID118395151
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name5-bromo-2-(1,1-difluoroethyl)pyridine
SMILESCC(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C7H6BrF2N/c1-7(9,10)6-3-2-5(8)4-11-6/h2-4H,1H3
InChIKeyZYNXBMCRNNKASB-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,1-difluoroethyl)pyridine?
The IUPAC name of 5-bromo-2-(1,1-difluoroethyl)pyridine (CID 118395151) is 5-bromo-2-(1,1-difluoroethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(1,1-difluoroethyl)pyridine?
The canonical SMILES for 5-bromo-2-(1,1-difluoroethyl)pyridine is CC(F)(F)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(1,1-difluoroethyl)pyridine?
The InChIKey is ZYNXBMCRNNKASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c1-7(9,10)6-3-2-5(8)4-11-6/h2-4H,1H3.
What are the key properties of 5-bromo-2-(1,1-difluoroethyl)pyridine?
5-bromo-2-(1,1-difluoroethyl)pyridine has a molecular weight of 222.03 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,1-difluoroethyl)pyridine is sourced from PubChem (CID 118395151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).