2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

C8H4F6N2O4 — CID 134664936

IUPAC2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESCOc1nc(OC(F)(F)F)c([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H4F6N2O4/c1-19-5-3(7(9,10)11)2-4(16(17)18)6(15-5)20-8(12,13)14/h2H,1H3
InChIKeyVGHCZTREKOWYCW-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.92
Rot. Bonds3

About 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 134664936) has the molecular formula C8H4F6N2O4 and a molecular weight of 306.12 g/mol. Its IUPAC name is 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID134664936
Molecular FormulaC8H4F6N2O4
Molecular Weight306.12 g/mol
Exact Mass306.01
IUPAC Name2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESCOc1nc(OC(F)(F)F)c([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C8H4F6N2O4/c1-19-5-3(7(9,10)11)2-4(16(17)18)6(15-5)20-8(12,13)14/h2H,1H3
InChIKeyVGHCZTREKOWYCW-UHFFFAOYSA-N
XLogP2.92
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.92
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

2-[2-methoxy-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666404
6-methoxy-5-nitro-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134677984
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134667582
2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
CID 118827165
2-methoxy-6-nitro-3-(trifluoromethyl)pyridine
CID 133094984
5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680784
2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134660080
3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134681912
6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134670303
6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
CID 133099375

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 134664936) is 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is COc1nc(OC(F)(F)F)c([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is VGHCZTREKOWYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6N2O4/c1-19-5-3(7(9,10)11)2-4(16(17)18)6(15-5)20-8(12,13)14/h2H,1H3.
What are the key properties of 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 306.12 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134664936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).