3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine

C12H7F2N3O6 — CID 133424660

IUPAC3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(Oc2cccnc2[N+](=O)[O-])cc1OC(F)F
InChIInChI=1S/C12H7F2N3O6/c13-12(14)23-10-6-7(3-4-8(10)16(18)19)22-9-2-1-5-15-11(9)17(20)21/h1-6,12H
InChIKeyVKEQBSMXYOVJMH-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.29
Rot. Bonds6

About 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine

3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine (PubChem CID 133424660) has the molecular formula C12H7F2N3O6 and a molecular weight of 327.20 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine
PubChem CID133424660
Molecular FormulaC12H7F2N3O6
Molecular Weight327.20 g/mol
Exact Mass327.03
IUPAC Name3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(Oc2cccnc2[N+](=O)[O-])cc1OC(F)F
InChIInChI=1S/C12H7F2N3O6/c13-12(14)23-10-6-7(3-4-8(10)16(18)19)22-9-2-1-5-15-11(9)17(20)21/h1-6,12H
InChIKeyVKEQBSMXYOVJMH-UHFFFAOYSA-N
XLogP3.29
TPSA117.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-fluoropyridine
CID 133429240
3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine
CID 133424666
2-chloro-6-[3-(difluoromethoxy)-4-nitrophenoxy]benzonitrile
CID 133428157
[3-(difluoromethoxy)-4-nitrophenyl] acetate
CID 91579036
2,3-dinitropyridine;hydrazine
CID 175406944
1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
CID 131855225
[3-(difluoromethoxy)-4-nitrophenyl]-pyridin-4-ylmethanone
CID 134627459
3-methoxy-2-nitropyridine
CID 556063
2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one
CID 172852182
1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
CID 141028739
3-(5-methoxy-2-nitrophenoxy)pyridine-2-carbonitrile
CID 102702690
4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine
CID 133282270

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine?
The IUPAC name of 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine (CID 133424660) is 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine.
What is the SMILES notation for 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine?
The canonical SMILES for 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine is O=[N+]([O-])c1ccc(Oc2cccnc2[N+](=O)[O-])cc1OC(F)F.
What is the InChIKey of 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine?
The InChIKey is VKEQBSMXYOVJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O6/c13-12(14)23-10-6-7(3-4-8(10)16(18)19)22-9-2-1-5-15-11(9)17(20)21/h1-6,12H.
What are the key properties of 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine?
3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine has a molecular weight of 327.20 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine is sourced from PubChem (CID 133424660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).