5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine

C12H5BrClF4NO — CID 103583775

IUPAC5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
SMILESFc1ccc(Oc2ncc(Br)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C12H5BrClF4NO/c13-6-3-9(14)11(19-5-6)20-7-1-2-10(15)8(4-7)12(16,17)18/h1-5H
InChIKeyBRNYWMOSVZHESO-UHFFFAOYSA-N
MW370.53 g/mol
LogP5.45
Rot. Bonds2

About 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine

5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 103583775) has the molecular formula C12H5BrClF4NO and a molecular weight of 370.53 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
PubChem CID103583775
Molecular FormulaC12H5BrClF4NO
Molecular Weight370.53 g/mol
Exact Mass368.92
IUPAC Name5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
SMILESFc1ccc(Oc2ncc(Br)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C12H5BrClF4NO/c13-6-3-9(14)11(19-5-6)20-7-1-2-10(15)8(4-7)12(16,17)18/h1-5H
InChIKeyBRNYWMOSVZHESO-UHFFFAOYSA-N
XLogP5.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747278
5-bromo-3-chloro-2-(3,4-difluorophenoxy)pyridine
CID 103583644
5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-fluoroaniline
CID 106796453
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
5-bromo-3-chloro-2-(4-iodophenoxy)pyridine
CID 103582296
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
5-chloro-4-[2-[5-fluoro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethoxy]pyrimidine
CID 151659011
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine (CID 103583775) is 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine is Fc1ccc(Oc2ncc(Br)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is BRNYWMOSVZHESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClF4NO/c13-6-3-9(14)11(19-5-6)20-7-1-2-10(15)8(4-7)12(16,17)18/h1-5H.
What are the key properties of 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine?
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 370.53 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 103583775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).