3-(4-bromo-3,5-difluorophenyl)pyridine

C11H6BrF2N — CID 164533968

IUPAC3-(4-bromo-3,5-difluorophenyl)pyridine
SMILESFc1cc(-c2cccnc2)cc(F)c1Br
InChIInChI=1S/C11H6BrF2N/c12-11-9(13)4-8(5-10(11)14)7-2-1-3-15-6-7/h1-6H
InChIKeyRAGQYFJDOGDWHS-UHFFFAOYSA-N
MW270.08 g/mol
LogP3.79
Rot. Bonds1

About 3-(4-bromo-3,5-difluorophenyl)pyridine

3-(4-bromo-3,5-difluorophenyl)pyridine (PubChem CID 164533968) has the molecular formula C11H6BrF2N and a molecular weight of 270.08 g/mol. Its IUPAC name is 3-(4-bromo-3,5-difluorophenyl)pyridine.

Molecular Properties

Compound Name3-(4-bromo-3,5-difluorophenyl)pyridine
PubChem CID164533968
Molecular FormulaC11H6BrF2N
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name3-(4-bromo-3,5-difluorophenyl)pyridine
SMILESFc1cc(-c2cccnc2)cc(F)c1Br
InChIInChI=1S/C11H6BrF2N/c12-11-9(13)4-8(5-10(11)14)7-2-1-3-15-6-7/h1-6H
InChIKeyRAGQYFJDOGDWHS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-diphenylphenyl)pyridine
CID 141411458
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-(3-fluoro-4-iodo-5-pyridin-4-ylphenyl)pyridine
CID 46316518
cyclopenta[c]azepine
CID 638010
3-[3-bromo-5-(trifluoromethyl)phenyl]pyridine
CID 174924855
3-fluoro-4-pyridin-3-ylphenol
CID 46315770
3-azulen-6-ylpyridine
CID 86232079
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-difluorophenyl)pyridine?
The IUPAC name of 3-(4-bromo-3,5-difluorophenyl)pyridine (CID 164533968) is 3-(4-bromo-3,5-difluorophenyl)pyridine.
What is the SMILES notation for 3-(4-bromo-3,5-difluorophenyl)pyridine?
The canonical SMILES for 3-(4-bromo-3,5-difluorophenyl)pyridine is Fc1cc(-c2cccnc2)cc(F)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-difluorophenyl)pyridine?
The InChIKey is RAGQYFJDOGDWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2N/c12-11-9(13)4-8(5-10(11)14)7-2-1-3-15-6-7/h1-6H.
What are the key properties of 3-(4-bromo-3,5-difluorophenyl)pyridine?
3-(4-bromo-3,5-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-(4-bromo-3,5-difluorophenyl)pyridine is sourced from PubChem (CID 164533968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).