4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine

C12H5BrF5N — CID 141396417

IUPAC4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine
SMILESFc1ccc(-c2cc(Br)ccn2)c(F)c1C(F)(F)F
InChIInChI=1S/C12H5BrF5N/c13-6-3-4-19-9(5-6)7-1-2-8(14)10(11(7)15)12(16,17)18/h1-5H
InChIKeyIFNYPEVNSSIIEX-UHFFFAOYSA-N
MW338.07 g/mol
LogP4.81
Rot. Bonds1

About 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine

4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine (PubChem CID 141396417) has the molecular formula C12H5BrF5N and a molecular weight of 338.07 g/mol. Its IUPAC name is 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine
PubChem CID141396417
Molecular FormulaC12H5BrF5N
Molecular Weight338.07 g/mol
Exact Mass336.95
IUPAC Name4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine
SMILESFc1ccc(-c2cc(Br)ccn2)c(F)c1C(F)(F)F
InChIInChI=1S/C12H5BrF5N/c13-6-3-4-19-9(5-6)7-1-2-8(14)10(11(7)15)12(16,17)18/h1-5H
InChIKeyIFNYPEVNSSIIEX-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.07
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine (CID 141396417) is 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine is Fc1ccc(-c2cc(Br)ccn2)c(F)c1C(F)(F)F.
What is the InChIKey of 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is IFNYPEVNSSIIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrF5N/c13-6-3-4-19-9(5-6)7-1-2-8(14)10(11(7)15)12(16,17)18/h1-5H.
What are the key properties of 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine?
4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 338.07 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2,4-difluoro-3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 141396417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).