4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine

C12H9ClFN3O3 — CID 63734189

IUPAC4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Oc2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C12H9ClFN3O3/c1-6-11(13)15-7(2)16-12(6)20-10-4-3-8(17(18)19)5-9(10)14/h3-5H,1-2H3
InChIKeyKRWNCWUQRGXWAS-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.59
Rot. Bonds3

About 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine

4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine (PubChem CID 63734189) has the molecular formula C12H9ClFN3O3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
PubChem CID63734189
Molecular FormulaC12H9ClFN3O3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(Oc2ccc([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C12H9ClFN3O3/c1-6-11(13)15-7(2)16-12(6)20-10-4-3-8(17(18)19)5-9(10)14/h3-5H,1-2H3
InChIKeyKRWNCWUQRGXWAS-UHFFFAOYSA-N
XLogP3.59
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 53.59
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-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole
CID 54915723
4-chloro-2,5-dimethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63734876
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-(2-fluoro-4-nitrophenoxy)-3-methylbenzonitrile
CID 51892162
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178
methyl 4-chloro-2-(2-fluoro-4-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61058240
[4-(2-fluoro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80921201
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
4-(2-fluoro-4-nitrophenoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol
CID 21081646
2-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545863

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine (CID 63734189) is 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(Oc2ccc([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine?
The InChIKey is KRWNCWUQRGXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3/c1-6-11(13)15-7(2)16-12(6)20-10-4-3-8(17(18)19)5-9(10)14/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine?
4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine has a molecular weight of 297.67 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine is sourced from PubChem (CID 63734189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).