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

C10H4BrClFN3O3 — CID 79075513

IUPAC5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1ccc(F)cc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C10H4BrClFN3O3/c11-6-4-14-10(12)15-9(6)19-8-3-5(13)1-2-7(8)16(17)18/h1-4H
InChIKeyOJUOMCPJRFYTGI-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.73
Rot. Bonds3

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

5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine (PubChem CID 79075513) has the molecular formula C10H4BrClFN3O3 and a molecular weight of 348.52 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
PubChem CID79075513
Molecular FormulaC10H4BrClFN3O3
Molecular Weight348.52 g/mol
Exact Mass346.91
IUPAC Name5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
SMILESO=[N+]([O-])c1ccc(F)cc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C10H4BrClFN3O3/c11-6-4-14-10(12)15-9(6)19-8-3-5(13)1-2-7(8)16(17)18/h1-4H
InChIKeyOJUOMCPJRFYTGI-UHFFFAOYSA-N
XLogP3.73
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.73
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

3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
CID 105368287
5-chloro-4-(5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80875623
3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine
CID 102760813
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
5-bromo-4-(5-chloro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80872739
5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676307
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094
4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
CID 113497815
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
2-(4-bromophenoxy)-4-fluoro-1-nitrobenzene
CID 62377093
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
CID 114051796
3-chloro-6-(5-fluoro-2-nitrophenoxy)pyridazine
CID 60674957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine (CID 79075513) is 5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine is O=[N+]([O-])c1ccc(F)cc1Oc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine?
The InChIKey is OJUOMCPJRFYTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClFN3O3/c11-6-4-14-10(12)15-9(6)19-8-3-5(13)1-2-7(8)16(17)18/h1-4H.
What are the key properties of 5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine?
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine has a molecular weight of 348.52 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine is sourced from PubChem (CID 79075513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).