3-bromo-5-(2,2-difluoroethenyl)pyridine

C7H4BrF2N — CID 169260385

IUPAC3-bromo-5-(2,2-difluoroethenyl)pyridine
SMILESFC(F)=Cc1cncc(Br)c1
InChIInChI=1S/C7H4BrF2N/c8-6-1-5(2-7(9)10)3-11-4-6/h1-4H
InChIKeyMKRYRJDJAYXDDK-UHFFFAOYSA-N
MW220.02 g/mol
LogP3.08
Rot. Bonds1

About 3-bromo-5-(2,2-difluoroethenyl)pyridine

3-bromo-5-(2,2-difluoroethenyl)pyridine (PubChem CID 169260385) has the molecular formula C7H4BrF2N and a molecular weight of 220.02 g/mol. Its IUPAC name is 3-bromo-5-(2,2-difluoroethenyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(2,2-difluoroethenyl)pyridine
PubChem CID169260385
Molecular FormulaC7H4BrF2N
Molecular Weight220.02 g/mol
Exact Mass218.95
IUPAC Name3-bromo-5-(2,2-difluoroethenyl)pyridine
SMILESFC(F)=Cc1cncc(Br)c1
InChIInChI=1S/C7H4BrF2N/c8-6-1-5(2-7(9)10)3-11-4-6/h1-4H
InChIKeyMKRYRJDJAYXDDK-UHFFFAOYSA-N
XLogP3.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.02
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,2-difluoroethenyl)pyridine?
The IUPAC name of 3-bromo-5-(2,2-difluoroethenyl)pyridine (CID 169260385) is 3-bromo-5-(2,2-difluoroethenyl)pyridine.
What is the SMILES notation for 3-bromo-5-(2,2-difluoroethenyl)pyridine?
The canonical SMILES for 3-bromo-5-(2,2-difluoroethenyl)pyridine is FC(F)=Cc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-(2,2-difluoroethenyl)pyridine?
The InChIKey is MKRYRJDJAYXDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2N/c8-6-1-5(2-7(9)10)3-11-4-6/h1-4H.
What are the key properties of 3-bromo-5-(2,2-difluoroethenyl)pyridine?
3-bromo-5-(2,2-difluoroethenyl)pyridine has a molecular weight of 220.02 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,2-difluoroethenyl)pyridine is sourced from PubChem (CID 169260385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).