4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine

C11H8FN3O3 — CID 143321178

IUPAC4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2F)ncn1
InChIInChI=1S/C11H8FN3O3/c1-7-4-11(14-6-13-7)18-10-3-2-8(15(16)17)5-9(10)12/h2-6H,1H3
InChIKeyWPSGDVYMVKIAIX-UHFFFAOYSA-N
MW249.20 g/mol
LogP2.62
Rot. Bonds3

About 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine

4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine (PubChem CID 143321178) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
PubChem CID143321178
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2F)ncn1
InChIInChI=1S/C11H8FN3O3/c1-7-4-11(14-6-13-7)18-10-3-2-8(15(16)17)5-9(10)12/h2-6H,1H3
InChIKeyWPSGDVYMVKIAIX-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

3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1,1-dimethylurea
CID 23153022
tert-butyl N-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-N-methylcarbamate
CID 59852957
4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine
CID 113305652
6-(2-fluoro-4-nitrophenoxy)pyridin-2-amine
CID 80653072
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80871675
(1S,4S)-N-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 91301177
6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80871254
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine?
The IUPAC name of 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine (CID 143321178) is 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine.
What is the SMILES notation for 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine?
The canonical SMILES for 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine is Cc1cc(Oc2ccc([N+](=O)[O-])cc2F)ncn1.
What is the InChIKey of 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine?
The InChIKey is WPSGDVYMVKIAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c1-7-4-11(14-6-13-7)18-10-3-2-8(15(16)17)5-9(10)12/h2-6H,1H3.
What are the key properties of 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine?
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine 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 4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine is sourced from PubChem (CID 143321178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).