2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine

C11H13F3N2O5 — CID 23110960

IUPAC2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCOCCOc1nc(C)cc(OCC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C11H13F3N2O5/c1-7-5-8(21-6-11(12,13)14)9(16(17)18)10(15-7)20-4-3-19-2/h5H,3-4,6H2,1-2H3
InChIKeyILLYTBCNWLRYRP-UHFFFAOYSA-N
MW310.23 g/mol
LogP2.26
Rot. Bonds7

About 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine

2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 23110960) has the molecular formula C11H13F3N2O5 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID23110960
Molecular FormulaC11H13F3N2O5
Molecular Weight310.23 g/mol
Exact Mass310.08
IUPAC Name2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCOCCOc1nc(C)cc(OCC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C11H13F3N2O5/c1-7-5-8(21-6-11(12,13)14)9(16(17)18)10(15-7)20-4-3-19-2/h5H,3-4,6H2,1-2H3
InChIKeyILLYTBCNWLRYRP-UHFFFAOYSA-N
XLogP2.26
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine 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-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446
1-methyl-4-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 18700159
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
CID 114044293
1-bromo-2-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)benzene
CID 127053548
ethyl 2-[6-methyl-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134672629
2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 82455103
1-methyl-2-nitro-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 84590418
5-methoxy-2-nitro-4-(2,2,2-trifluoroethoxy)benzaldehyde
CID 43311615
1-fluoro-3-(2-methoxyethoxy)-2-nitrobenzene
CID 53255561
5-nitro-2,4-bis(2,2,2-trifluoroethoxy)pyridine
CID 12868380
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
4,6-dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 122534089

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine (CID 23110960) is 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine is COCCOc1nc(C)cc(OCC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is ILLYTBCNWLRYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O5/c1-7-5-8(21-6-11(12,13)14)9(16(17)18)10(15-7)20-4-3-19-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine?
2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 310.23 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 23110960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).