4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine

C8H7F3N2O4 — CID 134659446

IUPAC4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
SMILESCOc1cc(C)nc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H7F3N2O4/c1-4-3-5(16-2)6(13(14)15)7(12-4)17-8(9,10)11/h3H,1-2H3
InChIKeyCJSVBTLAGMDJGH-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.21
Rot. Bonds3

About 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine

4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine (PubChem CID 134659446) has the molecular formula C8H7F3N2O4 and a molecular weight of 252.15 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
PubChem CID134659446
Molecular FormulaC8H7F3N2O4
Molecular Weight252.15 g/mol
Exact Mass252.04
IUPAC Name4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
SMILESCOc1cc(C)nc(OC(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H7F3N2O4/c1-4-3-5(16-2)6(13(14)15)7(12-4)17-8(9,10)11/h3H,1-2H3
InChIKeyCJSVBTLAGMDJGH-UHFFFAOYSA-N
XLogP2.21
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.21
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

6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
CID 134670317
6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111847
6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134681639
ethyl 2-[6-methyl-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134672629
2-(2-methoxyethoxy)-6-methyl-3-nitro-4-(2,2,2-trifluoroethoxy)pyridine
CID 23110960
4-methoxy-2-methyl-6-nitro-3-(trifluoromethoxy)pyridine
CID 134668132
3-methoxy-6-methyl-2-(trifluoromethoxy)pyridine
CID 130093146
methyl 2-[4-methoxy-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668272
ethyl 2-[4-methoxy-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681865
4-methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111828
5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111832
ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669478

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine (CID 134659446) is 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine is COc1cc(C)nc(OC(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine?
The InChIKey is CJSVBTLAGMDJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O4/c1-4-3-5(16-2)6(13(14)15)7(12-4)17-8(9,10)11/h3H,1-2H3.
What are the key properties of 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine?
4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine has a molecular weight of 252.15 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134659446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).