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

C11H8BrN3O3 — CID 66320498

IUPAC5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ncncc2Br)c1
InChIInChI=1S/C11H8BrN3O3/c1-7-2-3-9(15(16)17)10(4-7)18-11-8(12)5-13-6-14-11/h2-6H,1H3
InChIKeyHRLBSWIAVIICAO-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.25
Rot. Bonds3

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

5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine (PubChem CID 66320498) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
PubChem CID66320498
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ncncc2Br)c1
InChIInChI=1S/C11H8BrN3O3/c1-7-2-3-9(15(16)17)10(4-7)18-11-8(12)5-13-6-14-11/h2-6H,1H3
InChIKeyHRLBSWIAVIICAO-UHFFFAOYSA-N
XLogP3.25
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.25
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

3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine
CID 113452203
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine
CID 133407813
3-bromo-2-(5-fluoro-2-nitrophenoxy)-5-methylpyridine
CID 105368287
2-(5-bromopyrimidin-4-yl)oxy-5-methylaniline
CID 66342175
5-bromo-4-(2-chloro-5-nitrophenoxy)pyrimidine
CID 66318033
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
5-bromo-2-(2-bromo-4-methylphenoxy)-3-nitropyridine
CID 61229991
2-(2-bromo-4-methylphenoxy)-6-methyl-3-nitropyridine
CID 81131436

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine?
The IUPAC name of 5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine (CID 66320498) is 5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine is Cc1ccc([N+](=O)[O-])c(Oc2ncncc2Br)c1.
What is the InChIKey of 5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine?
The InChIKey is HRLBSWIAVIICAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c1-7-2-3-9(15(16)17)10(4-7)18-11-8(12)5-13-6-14-11/h2-6H,1H3.
What are the key properties of 5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine?
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine has a molecular weight of 310.11 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine is sourced from PubChem (CID 66320498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).