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

C11H7BrClN3O3 — CID 79075514

IUPAC5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C11H7BrClN3O3/c1-6-2-3-7(16(17)18)4-9(6)19-10-8(12)5-14-11(13)15-10/h2-5H,1H3
InChIKeyRTXLBJYYQHQXGD-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.90
Rot. Bonds3

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

5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine (PubChem CID 79075514) has the molecular formula C11H7BrClN3O3 and a molecular weight of 344.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
PubChem CID79075514
Molecular FormulaC11H7BrClN3O3
Molecular Weight344.55 g/mol
Exact Mass342.94
IUPAC Name5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C11H7BrClN3O3/c1-6-2-3-7(16(17)18)4-9(6)19-10-8(12)5-14-11(13)15-10/h2-5H,1H3
InChIKeyRTXLBJYYQHQXGD-UHFFFAOYSA-N
XLogP3.90
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.90
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

5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
CID 79076865
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
[3,5-dichloro-6-(2-methyl-5-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102762949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine (CID 79075514) is 5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine is Cc1ccc([N+](=O)[O-])cc1Oc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine?
The InChIKey is RTXLBJYYQHQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O3/c1-6-2-3-7(16(17)18)4-9(6)19-10-8(12)5-14-11(13)15-10/h2-5H,1H3.
What are the key properties of 5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine?
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine has a molecular weight of 344.55 g/mol, XLogP of 3.90, 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-(2-methyl-5-nitrophenoxy)pyrimidine is sourced from PubChem (CID 79075514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).