6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid

C8H5F3N2O6 — CID 134670303

IUPAC6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESCOc1cc([N+](=O)[O-])c(C(=O)O)c(OC(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O6/c1-18-4-2-3(13(16)17)5(7(14)15)6(12-4)19-8(9,10)11/h2H,1H3,(H,14,15)
InChIKeyBOGSFAZFOFOLJJ-UHFFFAOYSA-N
MW282.13 g/mol
LogP1.60
Rot. Bonds4

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

6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 134670303) has the molecular formula C8H5F3N2O6 and a molecular weight of 282.13 g/mol. Its IUPAC name is 6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID134670303
Molecular FormulaC8H5F3N2O6
Molecular Weight282.13 g/mol
Exact Mass282.01
IUPAC Name6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESCOc1cc([N+](=O)[O-])c(C(=O)O)c(OC(F)(F)F)n1
InChIInChI=1S/C8H5F3N2O6/c1-18-4-2-3(13(16)17)5(7(14)15)6(12-4)19-8(9,10)11/h2H,1H3,(H,14,15)
InChIKeyBOGSFAZFOFOLJJ-UHFFFAOYSA-N
XLogP1.60
TPSA111.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl 2-[2-methoxy-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668032
6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134670306
2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134660080
6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134681639
2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466
2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670335
2-iodo-5-nitro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679777
ethyl 4-methyl-6-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677654
2-[6-methoxy-2-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134670329
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134664936
methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134667582
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 134670303) is 6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid is COc1cc([N+](=O)[O-])c(C(=O)O)c(OC(F)(F)F)n1.
What is the InChIKey of 6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is BOGSFAZFOFOLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O6/c1-18-4-2-3(13(16)17)5(7(14)15)6(12-4)19-8(9,10)11/h2H,1H3,(H,14,15).
What are the key properties of 6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid?
6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 282.13 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 134670303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).