5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine

C11H8FN3O3 — CID 20595468

IUPAC5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine
SMILESCc1ncnc(Oc2ccccc2[N+](=O)[O-])c1F
InChIInChI=1S/C11H8FN3O3/c1-7-10(12)11(14-6-13-7)18-9-5-3-2-4-8(9)15(16)17/h2-6H,1H3
InChIKeyYDWRBRDILSPDBQ-UHFFFAOYSA-N
MW249.20 g/mol
LogP2.62
Rot. Bonds3

About 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine

5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine (PubChem CID 20595468) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine
PubChem CID20595468
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine
SMILESCc1ncnc(Oc2ccccc2[N+](=O)[O-])c1F
InChIInChI=1S/C11H8FN3O3/c1-7-10(12)11(14-6-13-7)18-9-5-3-2-4-8(9)15(16)17/h2-6H,1H3
InChIKeyYDWRBRDILSPDBQ-UHFFFAOYSA-N
XLogP2.62
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 52.62
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-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
5-ethyl-N-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875427
2-(fluoromethoxyamino)-2-[2-[5-fluoro-6-(2-nitrophenoxy)pyrimidin-4-yl]oxyphenyl]-N-methylacetamide
CID 20595448
1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 114045767
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
5-methyl-2-(2-nitrophenoxy)pyridin-3-amine
CID 114051048
1-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
[5-fluoro-4-(2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920840
bicyclo[2.2.0]hexa-1,3,5-triene;2-(2-nitrophenoxy)pyridine
CID 174798016
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine?
The IUPAC name of 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine (CID 20595468) is 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine is Cc1ncnc(Oc2ccccc2[N+](=O)[O-])c1F.
What is the InChIKey of 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine?
The InChIKey is YDWRBRDILSPDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c1-7-10(12)11(14-6-13-7)18-9-5-3-2-4-8(9)15(16)17/h2-6H,1H3.
What are the key properties of 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine?
5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine has a molecular weight of 249.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-6-(2-nitrophenoxy)pyrimidine is sourced from PubChem (CID 20595468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).