3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine

C12H7BrF3NO — CID 52937146

IUPAC3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2cncc(Br)c2)c1
InChIInChI=1S/C12H7BrF3NO/c13-10-4-9(6-17-7-10)8-2-1-3-11(5-8)18-12(14,15)16/h1-7H
InChIKeyCQZGZJVFSWRLOF-UHFFFAOYSA-N
MW318.09 g/mol
LogP4.41
Rot. Bonds2

About 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine

3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 52937146) has the molecular formula C12H7BrF3NO and a molecular weight of 318.09 g/mol. Its IUPAC name is 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID52937146
Molecular FormulaC12H7BrF3NO
Molecular Weight318.09 g/mol
Exact Mass316.97
IUPAC Name3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2cncc(Br)c2)c1
InChIInChI=1S/C12H7BrF3NO/c13-10-4-9(6-17-7-10)8-2-1-3-11(5-8)18-12(14,15)16/h1-7H
InChIKeyCQZGZJVFSWRLOF-UHFFFAOYSA-N
XLogP4.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
CID 58321914
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
CID 171367488
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
CID 123630878
3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide
CID 170460021
3-(5-bromo-3-pyridinyl)aniline
CID 23298104

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine (CID 52937146) is 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1cccc(-c2cncc(Br)c2)c1.
What is the InChIKey of 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is CQZGZJVFSWRLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO/c13-10-4-9(6-17-7-10)8-2-1-3-11(5-8)18-12(14,15)16/h1-7H.
What are the key properties of 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine?
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 318.09 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 52937146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).