3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine

C13H9F3N2O4 — CID 134627217

IUPAC3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCOc1ccc([N+](=O)[O-])nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O4/c1-21-10-6-7-11(18(19)20)17-12(10)8-2-4-9(5-3-8)22-13(14,15)16/h2-7H,1H3
InChIKeyRFSVVEGEVHJTSZ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.56
Rot. Bonds4

About 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine

3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 134627217) has the molecular formula C13H9F3N2O4 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID134627217
Molecular FormulaC13H9F3N2O4
Molecular Weight314.22 g/mol
Exact Mass314.05
IUPAC Name3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine
SMILESCOc1ccc([N+](=O)[O-])nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O4/c1-21-10-6-7-11(18(19)20)17-12(10)8-2-4-9(5-3-8)22-13(14,15)16/h2-7H,1H3
InChIKeyRFSVVEGEVHJTSZ-UHFFFAOYSA-N
XLogP3.56
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.56
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-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986
4-methoxy-2-methyl-6-nitro-3-(trifluoromethoxy)pyridine
CID 134668132
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134680057
2-methoxy-6-nitro-3-(trifluoromethyl)pyridine
CID 133094984
3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 135353115
2-ethynyl-1-methoxy-4-[4-(trifluoromethoxy)phenyl]benzene
CID 166436384
2-nitro-6-(trifluoromethoxy)pyridine
CID 130088847
2-nitro-1-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118834881
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
methyl 2-nitro-5-[4-(trifluoromethoxy)phenyl]benzoate
CID 134635343

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine (CID 134627217) is 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine is COc1ccc([N+](=O)[O-])nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is RFSVVEGEVHJTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O4/c1-21-10-6-7-11(18(19)20)17-12(10)8-2-4-9(5-3-8)22-13(14,15)16/h2-7H,1H3.
What are the key properties of 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine?
3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 314.22 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-nitro-2-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 134627217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).