3-bromo-2-(3,4-difluorophenyl)pyridine

C11H6BrF2N — CID 130058353

IUPAC3-bromo-2-(3,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2ncccc2Br)cc1F
InChIInChI=1S/C11H6BrF2N/c12-8-2-1-5-15-11(8)7-3-4-9(13)10(14)6-7/h1-6H
InChIKeyNDDYQBLIYZTKFT-UHFFFAOYSA-N
MW270.08 g/mol
LogP3.79
Rot. Bonds1

About 3-bromo-2-(3,4-difluorophenyl)pyridine

3-bromo-2-(3,4-difluorophenyl)pyridine (PubChem CID 130058353) has the molecular formula C11H6BrF2N and a molecular weight of 270.08 g/mol. Its IUPAC name is 3-bromo-2-(3,4-difluorophenyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(3,4-difluorophenyl)pyridine
PubChem CID130058353
Molecular FormulaC11H6BrF2N
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name3-bromo-2-(3,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2ncccc2Br)cc1F
InChIInChI=1S/C11H6BrF2N/c12-8-2-1-5-15-11(8)7-3-4-9(13)10(14)6-7/h1-6H
InChIKeyNDDYQBLIYZTKFT-UHFFFAOYSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3,4-difluorophenyl)pyridine?
The IUPAC name of 3-bromo-2-(3,4-difluorophenyl)pyridine (CID 130058353) is 3-bromo-2-(3,4-difluorophenyl)pyridine.
What is the SMILES notation for 3-bromo-2-(3,4-difluorophenyl)pyridine?
The canonical SMILES for 3-bromo-2-(3,4-difluorophenyl)pyridine is Fc1ccc(-c2ncccc2Br)cc1F.
What is the InChIKey of 3-bromo-2-(3,4-difluorophenyl)pyridine?
The InChIKey is NDDYQBLIYZTKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2N/c12-8-2-1-5-15-11(8)7-3-4-9(13)10(14)6-7/h1-6H.
What are the key properties of 3-bromo-2-(3,4-difluorophenyl)pyridine?
3-bromo-2-(3,4-difluorophenyl)pyridine has a molecular weight of 270.08 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3,4-difluorophenyl)pyridine is sourced from PubChem (CID 130058353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).