5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine

C10H3BrCl4N2O — CID 114071617

IUPAC5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine
SMILESClc1cc(Cl)c(Oc2ncnc(Cl)c2Br)cc1Cl
InChIInChI=1S/C10H3BrCl4N2O/c11-8-9(15)16-3-17-10(8)18-7-2-5(13)4(12)1-6(7)14/h1-3H
InChIKeyJZZANAVJFLKHQZ-UHFFFAOYSA-N
MW388.86 g/mol
LogP5.64
Rot. Bonds2

About 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine

5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine (PubChem CID 114071617) has the molecular formula C10H3BrCl4N2O and a molecular weight of 388.86 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine
PubChem CID114071617
Molecular FormulaC10H3BrCl4N2O
Molecular Weight388.86 g/mol
Exact Mass385.82
IUPAC Name5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine
SMILESClc1cc(Cl)c(Oc2ncnc(Cl)c2Br)cc1Cl
InChIInChI=1S/C10H3BrCl4N2O/c11-8-9(15)16-3-17-10(8)18-7-2-5(13)4(12)1-6(7)14/h1-3H
InChIKeyJZZANAVJFLKHQZ-UHFFFAOYSA-N
XLogP5.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.86
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine (CID 114071617) is 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine is Clc1cc(Cl)c(Oc2ncnc(Cl)c2Br)cc1Cl.
What is the InChIKey of 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine?
The InChIKey is JZZANAVJFLKHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrCl4N2O/c11-8-9(15)16-3-17-10(8)18-7-2-5(13)4(12)1-6(7)14/h1-3H.
What are the key properties of 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine?
5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine has a molecular weight of 388.86 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(2,4,5-trichlorophenoxy)pyrimidine is sourced from PubChem (CID 114071617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).