2-nitro-6-(trifluoromethoxy)pyridine

C6H3F3N2O3 — CID 130088847

IUPAC2-nitro-6-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cccc(OC(F)(F)F)n1
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)14-5-3-1-2-4(10-5)11(12)13/h1-3H
InChIKeyYPCNXZDUWJCGBH-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.89
Rot. Bonds2

About 2-nitro-6-(trifluoromethoxy)pyridine

2-nitro-6-(trifluoromethoxy)pyridine (PubChem CID 130088847) has the molecular formula C6H3F3N2O3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 2-nitro-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-nitro-6-(trifluoromethoxy)pyridine
PubChem CID130088847
Molecular FormulaC6H3F3N2O3
Molecular Weight208.09 g/mol
Exact Mass208.01
IUPAC Name2-nitro-6-(trifluoromethoxy)pyridine
SMILESO=[N+]([O-])c1cccc(OC(F)(F)F)n1
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)14-5-3-1-2-4(10-5)11(12)13/h1-3H
InChIKeyYPCNXZDUWJCGBH-UHFFFAOYSA-N
XLogP1.89
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-6-nitropyridine
CID 69112331
[3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118836974
2-ethynyl-6-nitropyridine
CID 74787715
3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
CID 134680023
sodium 2-[6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 131676455
2-methyl-1-nitro-3-(trifluoromethoxy)benzene
CID 134621077
[6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130088886
4-methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111828
2-(fluoromethyl)-1-nitro-3-(trifluoromethoxy)benzene
CID 170837030
2-[6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 119023721
3-nitro-1-[3-(trifluoromethoxy)phenyl]pyrazole
CID 125489936
6-methoxy-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134681639

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-(trifluoromethoxy)pyridine?
The IUPAC name of 2-nitro-6-(trifluoromethoxy)pyridine (CID 130088847) is 2-nitro-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-nitro-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-nitro-6-(trifluoromethoxy)pyridine is O=[N+]([O-])c1cccc(OC(F)(F)F)n1.
What is the InChIKey of 2-nitro-6-(trifluoromethoxy)pyridine?
The InChIKey is YPCNXZDUWJCGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O3/c7-6(8,9)14-5-3-1-2-4(10-5)11(12)13/h1-3H.
What are the key properties of 2-nitro-6-(trifluoromethoxy)pyridine?
2-nitro-6-(trifluoromethoxy)pyridine has a molecular weight of 208.09 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130088847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).