3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine

C12H7BrF3NO2 — CID 113497399

IUPAC3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine
SMILESFC(F)(F)Oc1ccccc1Oc1cncc(Br)c1
InChIInChI=1S/C12H7BrF3NO2/c13-8-5-9(7-17-6-8)18-10-3-1-2-4-11(10)19-12(14,15)16/h1-7H
InChIKeyOVBBCGCTIVKVDK-UHFFFAOYSA-N
MW334.09 g/mol
LogP4.53
Rot. Bonds3

About 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine

3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine (PubChem CID 113497399) has the molecular formula C12H7BrF3NO2 and a molecular weight of 334.09 g/mol. Its IUPAC name is 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine
PubChem CID113497399
Molecular FormulaC12H7BrF3NO2
Molecular Weight334.09 g/mol
Exact Mass332.96
IUPAC Name3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine
SMILESFC(F)(F)Oc1ccccc1Oc1cncc(Br)c1
InChIInChI=1S/C12H7BrF3NO2/c13-8-5-9(7-17-6-8)18-10-3-1-2-4-11(10)19-12(14,15)16/h1-7H
InChIKeyOVBBCGCTIVKVDK-UHFFFAOYSA-N
XLogP4.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 104801909
[2-[(5-bromo-3-pyridinyl)oxy]-6-fluorophenyl]methanamine
CID 79516558
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine
CID 158842641
2-amino-3-[(5-bromo-3-pyridinyl)oxy]-N,N-dimethylbenzenesulfonamide
CID 107117144
4-[(5-bromo-3-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 59735755
3-[(5-bromo-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazole
CID 90810542
2-bromo-4-[(5-bromo-3-pyridinyl)oxy]-3-fluorobenzenecarboximidamide
CID 107536790
3-bromo-5-(3-chloro-2-nitrophenoxy)pyridine
CID 104835429
1-propan-2-yl-3-[2-(trifluoromethoxy)phenoxy]benzene
CID 175733827
4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 105370928

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine?
The IUPAC name of 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine (CID 113497399) is 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine.
What is the SMILES notation for 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine?
The canonical SMILES for 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine is FC(F)(F)Oc1ccccc1Oc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine?
The InChIKey is OVBBCGCTIVKVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO2/c13-8-5-9(7-17-6-8)18-10-3-1-2-4-11(10)19-12(14,15)16/h1-7H.
What are the key properties of 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine?
3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine has a molecular weight of 334.09 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(trifluoromethoxy)phenoxy]pyridine is sourced from PubChem (CID 113497399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).