4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine

C12H9ClFN3O3 — CID 114416597

IUPAC4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2cc(C)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C12H9ClFN3O3/c1-6-3-10(8(14)4-9(6)17(18)19)20-12-5-11(13)15-7(2)16-12/h3-5H,1-2H3
InChIKeyOMOJLBZGPLVTOY-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.59
Rot. Bonds3

About 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine

4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine (PubChem CID 114416597) has the molecular formula C12H9ClFN3O3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
PubChem CID114416597
Molecular FormulaC12H9ClFN3O3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2cc(C)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C12H9ClFN3O3/c1-6-3-10(8(14)4-9(6)17(18)19)20-12-5-11(13)15-7(2)16-12/h3-5H,1-2H3
InChIKeyOMOJLBZGPLVTOY-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'}

Analyze 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(2-fluoro-5-methyl-4-nitrophenoxy)-1,3-thiazole
CID 114416576
6-(2-fluoro-5-methyl-4-nitrophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 114418468
2-chloro-4-(2-fluoro-5-methyl-4-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 114416610
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80879991
2-bromo-5-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine
CID 112754869
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401
[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 114418608
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114417003
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridazine-3-carboxylic acid
CID 114416377
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
1-fluoro-4-methyl-5-nitro-2-(trifluoromethoxy)benzene
CID 134628194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine (CID 114416597) is 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine is Cc1nc(Cl)cc(Oc2cc(C)c([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine?
The InChIKey is OMOJLBZGPLVTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3/c1-6-3-10(8(14)4-9(6)17(18)19)20-12-5-11(13)15-7(2)16-12/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine?
4-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)-2-methylpyrimidine 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-5-methyl-4-nitrophenoxy)-2-methylpyrimidine is sourced from PubChem (CID 114416597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).