2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine

C15H7Br3Cl2F3NO2 — CID 21466475

IUPAC2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2c(Cl)cc(OCC=C(Br)Br)cc2Br)c(Cl)c1
InChIInChI=1S/C15H7Br3Cl2F3NO2/c16-9-4-8(25-2-1-12(17)18)5-10(19)13(9)26-14-11(20)3-7(6-24-14)15(21,22)23/h1,3-6H,2H2
InChIKeyISEBVBSHZLJMEB-UHFFFAOYSA-N
MW600.84 g/mol
LogP7.97
Rot. Bonds5

About 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine

2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 21466475) has the molecular formula C15H7Br3Cl2F3NO2 and a molecular weight of 600.84 g/mol. Its IUPAC name is 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
PubChem CID21466475
Molecular FormulaC15H7Br3Cl2F3NO2
Molecular Weight600.84 g/mol
Exact Mass596.74
IUPAC Name2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2c(Cl)cc(OCC=C(Br)Br)cc2Br)c(Cl)c1
InChIInChI=1S/C15H7Br3Cl2F3NO2/c16-9-4-8(25-2-1-12(17)18)5-10(19)13(9)26-14-11(20)3-7(6-24-14)15(21,22)23/h1,3-6H,2H2
InChIKeyISEBVBSHZLJMEB-UHFFFAOYSA-N
XLogP7.97
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.84
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
CID 21466246
3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine
CID 21466401
2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 169336505
1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene
CID 54158760
2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466411
3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine
CID 139750790
2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine
CID 22006865
1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene
CID 18725414
3-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]propan-1-amine
CID 22006787
2-(3-bromopropoxy)-1-chloro-5-(3,3-dibromoprop-2-enoxy)-3-fluorobenzene
CID 54485733
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
1-(diaminomethylidene)-2-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]guanidine
CID 168603059

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine (CID 21466475) is 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2c(Cl)cc(OCC=C(Br)Br)cc2Br)c(Cl)c1.
What is the InChIKey of 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is ISEBVBSHZLJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Br3Cl2F3NO2/c16-9-4-8(25-2-1-12(17)18)5-10(19)13(9)26-14-11(20)3-7(6-24-14)15(21,22)23/h1,3-6H,2H2.
What are the key properties of 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine?
2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 600.84 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 21466475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).