2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine

C10H3Br2Cl2N3O3 — CID 79633381

IUPAC2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cc(Br)c(Oc2nc(Cl)ncc2Cl)c(Br)c1
InChIInChI=1S/C10H3Br2Cl2N3O3/c11-5-1-4(17(18)19)2-6(12)8(5)20-9-7(13)3-15-10(14)16-9/h1-3H
InChIKeyXZVYSQVFVDJQCQ-UHFFFAOYSA-N
MW443.87 g/mol
LogP5.01
Rot. Bonds3

About 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine

2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine (PubChem CID 79633381) has the molecular formula C10H3Br2Cl2N3O3 and a molecular weight of 443.87 g/mol. Its IUPAC name is 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
PubChem CID79633381
Molecular FormulaC10H3Br2Cl2N3O3
Molecular Weight443.87 g/mol
Exact Mass440.79
IUPAC Name2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1cc(Br)c(Oc2nc(Cl)ncc2Cl)c(Br)c1
InChIInChI=1S/C10H3Br2Cl2N3O3/c11-5-1-4(17(18)19)2-6(12)8(5)20-9-7(13)3-15-10(14)16-9/h1-3H
InChIKeyXZVYSQVFVDJQCQ-UHFFFAOYSA-N
XLogP5.01
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.87
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine 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

5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 103583685
4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
CID 113497815
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
2-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 63587249
4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
CID 80740183
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 103013780
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646
5-bromo-2-(2,6-dibromo-4-nitrophenoxy)pyridine
CID 62098836
[3-chloro-4-(2,6-dibromo-4-nitrophenoxy)phenyl]methanamine
CID 81152432
4-(4-bromo-2-methyl-6-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 80878479
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
2-(2,6-dibromo-4-nitrophenoxy)acetaldehyde
CID 62032902

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine (CID 79633381) is 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine is O=[N+]([O-])c1cc(Br)c(Oc2nc(Cl)ncc2Cl)c(Br)c1.
What is the InChIKey of 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine?
The InChIKey is XZVYSQVFVDJQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Br2Cl2N3O3/c11-5-1-4(17(18)19)2-6(12)8(5)20-9-7(13)3-15-10(14)16-9/h1-3H.
What are the key properties of 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine?
2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine has a molecular weight of 443.87 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine is sourced from PubChem (CID 79633381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).