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

C7H5F3N2O3 — CID 133096161

IUPAC5-methoxy-2-nitro-3-(trifluoromethyl)pyridine
SMILESCOc1cnc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O3/c1-15-4-2-5(7(8,9)10)6(11-3-4)12(13)14/h2-3H,1H3
InChIKeyGDVLHOACCSBREA-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.02
Rot. Bonds2

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

5-methoxy-2-nitro-3-(trifluoromethyl)pyridine (PubChem CID 133096161) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 5-methoxy-2-nitro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-methoxy-2-nitro-3-(trifluoromethyl)pyridine
PubChem CID133096161
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name5-methoxy-2-nitro-3-(trifluoromethyl)pyridine
SMILESCOc1cnc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2O3/c1-15-4-2-5(7(8,9)10)6(11-3-4)12(13)14/h2-3H,1H3
InChIKeyGDVLHOACCSBREA-UHFFFAOYSA-N
XLogP2.02
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-nitro-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-methoxy-2-nitro-3-(trifluoromethyl)pyridine (CID 133096161) is 5-methoxy-2-nitro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-methoxy-2-nitro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-methoxy-2-nitro-3-(trifluoromethyl)pyridine is COc1cnc([N+](=O)[O-])c(C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-2-nitro-3-(trifluoromethyl)pyridine?
The InChIKey is GDVLHOACCSBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c1-15-4-2-5(7(8,9)10)6(11-3-4)12(13)14/h2-3H,1H3.
What are the key properties of 5-methoxy-2-nitro-3-(trifluoromethyl)pyridine?
5-methoxy-2-nitro-3-(trifluoromethyl)pyridine has a molecular weight of 222.12 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-nitro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 133096161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).