5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine

C10H5BrClN3O3 — CID 66318033

IUPAC5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1ccc(Cl)c(Oc2ncncc2Br)c1
InChIInChI=1S/C10H5BrClN3O3/c11-7-4-13-5-14-10(7)18-9-3-6(15(16)17)1-2-8(9)12/h1-5H
InChIKeyXUPIUFYLWJESJK-UHFFFAOYSA-N
MW330.53 g/mol
LogP3.59
Rot. Bonds3

About 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine

5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine (PubChem CID 66318033) has the molecular formula C10H5BrClN3O3 and a molecular weight of 330.53 g/mol. Its IUPAC name is 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
PubChem CID66318033
Molecular FormulaC10H5BrClN3O3
Molecular Weight330.53 g/mol
Exact Mass328.92
IUPAC Name5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1ccc(Cl)c(Oc2ncncc2Br)c1
InChIInChI=1S/C10H5BrClN3O3/c11-7-4-13-5-14-10(7)18-9-3-6(15(16)17)1-2-8(9)12/h1-5H
InChIKeyXUPIUFYLWJESJK-UHFFFAOYSA-N
XLogP3.59
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.53
LogP ≤ 53.59
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

4-(2-chloro-5-nitrophenoxy)-5-iodopyrimidine
CID 66317806
3-bromo-2-(5-bromo-2-chlorophenoxy)-5-nitropyridine
CID 79534868
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
CID 114837726
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 103013780
6-(2-chloro-5-nitrophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80880394
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
[6-(2-chloro-5-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628217
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889
1-chloro-4-nitro-2-pent-2-en-3-yloxybenzene
CID 57060162
tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
CID 125116636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine?
The IUPAC name of 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine (CID 66318033) is 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine is O=[N+]([O-])c1ccc(Cl)c(Oc2ncncc2Br)c1.
What is the InChIKey of 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine?
The InChIKey is XUPIUFYLWJESJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O3/c11-7-4-13-5-14-10(7)18-9-3-6(15(16)17)1-2-8(9)12/h1-5H.
What are the key properties of 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine?
5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine has a molecular weight of 330.53 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine is sourced from PubChem (CID 66318033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).