2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine

C12H4BrCl3F3NO — CID 169336505

IUPAC2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2c(Cl)cc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H4BrCl3F3NO/c13-6-2-7(14)10(8(15)3-6)21-11-9(16)1-5(4-20-11)12(17,18)19/h1-4H
InChIKeyBEQPURBFWNVKGT-UHFFFAOYSA-N
MW421.43 g/mol
LogP6.62
Rot. Bonds2

About 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine

2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine (PubChem CID 169336505) has the molecular formula C12H4BrCl3F3NO and a molecular weight of 421.43 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
PubChem CID169336505
Molecular FormulaC12H4BrCl3F3NO
Molecular Weight421.43 g/mol
Exact Mass418.85
IUPAC Name2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2c(Cl)cc(Br)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H4BrCl3F3NO/c13-6-2-7(14)10(8(15)3-6)21-11-9(16)1-5(4-20-11)12(17,18)19/h1-4H
InChIKeyBEQPURBFWNVKGT-UHFFFAOYSA-N
XLogP6.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.43
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466475
1-(diaminomethylidene)-2-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]guanidine
CID 168603059
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluoroaniline
CID 76851699
2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
CID 21466246

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine (CID 169336505) is 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2c(Cl)cc(Br)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine?
The InChIKey is BEQPURBFWNVKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrCl3F3NO/c13-6-2-7(14)10(8(15)3-6)21-11-9(16)1-5(4-20-11)12(17,18)19/h1-4H.
What are the key properties of 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine?
2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine has a molecular weight of 421.43 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 169336505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).