3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine

C12H6BrF4N — CID 135293560

IUPAC3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine
SMILESFc1cc(-c2cncc(Br)c2)ccc1C(F)(F)F
InChIInChI=1S/C12H6BrF4N/c13-9-3-8(5-18-6-9)7-1-2-10(11(14)4-7)12(15,16)17/h1-6H
InChIKeyCYMFLDDZKYRSQX-UHFFFAOYSA-N
MW320.08 g/mol
LogP4.67
Rot. Bonds1

About 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine

3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 135293560) has the molecular formula C12H6BrF4N and a molecular weight of 320.08 g/mol. Its IUPAC name is 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine
PubChem CID135293560
Molecular FormulaC12H6BrF4N
Molecular Weight320.08 g/mol
Exact Mass318.96
IUPAC Name3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine
SMILESFc1cc(-c2cncc(Br)c2)ccc1C(F)(F)F
InChIInChI=1S/C12H6BrF4N/c13-9-3-8(5-18-6-9)7-1-2-10(11(14)4-7)12(15,16)17/h1-6H
InChIKeyCYMFLDDZKYRSQX-UHFFFAOYSA-N
XLogP4.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine (CID 135293560) is 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine is Fc1cc(-c2cncc(Br)c2)ccc1C(F)(F)F.
What is the InChIKey of 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is CYMFLDDZKYRSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF4N/c13-9-3-8(5-18-6-9)7-1-2-10(11(14)4-7)12(15,16)17/h1-6H.
What are the key properties of 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine?
3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 320.08 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 135293560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).