4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine

C10H4BrCl2N3O3 — CID 113497815

IUPAC4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
SMILESO=[N+]([O-])c1cccc(Oc2nc(Cl)ncc2Cl)c1Br
InChIInChI=1S/C10H4BrCl2N3O3/c11-8-6(16(17)18)2-1-3-7(8)19-9-5(12)4-14-10(13)15-9/h1-4H
InChIKeyZWPCKDYDNKHCHE-UHFFFAOYSA-N
MW364.97 g/mol
LogP4.25
Rot. Bonds3

About 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine

4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine (PubChem CID 113497815) has the molecular formula C10H4BrCl2N3O3 and a molecular weight of 364.97 g/mol. Its IUPAC name is 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine.

Molecular Properties

Compound Name4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
PubChem CID113497815
Molecular FormulaC10H4BrCl2N3O3
Molecular Weight364.97 g/mol
Exact Mass362.88
IUPAC Name4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
SMILESO=[N+]([O-])c1cccc(Oc2nc(Cl)ncc2Cl)c1Br
InChIInChI=1S/C10H4BrCl2N3O3/c11-8-6(16(17)18)2-1-3-7(8)19-9-5(12)4-14-10(13)15-9/h1-4H
InChIKeyZWPCKDYDNKHCHE-UHFFFAOYSA-N
XLogP4.25
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.97
LogP ≤ 54.25
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'}

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Related Compounds

2-(2-bromo-3-nitrophenoxy)-3,5,6-trichloropyridine
CID 102749806
5-bromo-2-(2-bromo-3-nitrophenoxy)-3-chloropyridine
CID 103583764
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
3-(2-bromo-3-nitrophenoxy)-6-chloropyridazine
CID 113497819
2,5-dichloro-4-(2,6-dibromo-4-nitrophenoxy)pyrimidine
CID 79633381
2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
(1R)-1-[6-(2-bromo-3-nitrophenoxy)-3-pyridinyl]ethanamine
CID 104867394
2-chloro-4-(3-ethylphenoxy)-5-nitropyrimidine
CID 114044199
[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane
CID 144987523
2-chloro-4-[(6-methyl-3-pyridinyl)oxy]-5-nitropyrimidine
CID 114044250

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine?
The IUPAC name of 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine (CID 113497815) is 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine.
What is the SMILES notation for 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine?
The canonical SMILES for 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine is O=[N+]([O-])c1cccc(Oc2nc(Cl)ncc2Cl)c1Br.
What is the InChIKey of 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine?
The InChIKey is ZWPCKDYDNKHCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2N3O3/c11-8-6(16(17)18)2-1-3-7(8)19-9-5(12)4-14-10(13)15-9/h1-4H.
What are the key properties of 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine?
4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine has a molecular weight of 364.97 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine is sourced from PubChem (CID 113497815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).