2-(difluoromethoxy)-4-nitropyridine

C6H4F2N2O3 — CID 130836809

IUPAC2-(difluoromethoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1ccnc(OC(F)F)c1
InChIInChI=1S/C6H4F2N2O3/c7-6(8)13-5-3-4(10(11)12)1-2-9-5/h1-3,6H
InChIKeyAKNAXSCVTJZPNM-UHFFFAOYSA-N
MW190.11 g/mol
LogP1.59
Rot. Bonds3

About 2-(difluoromethoxy)-4-nitropyridine

2-(difluoromethoxy)-4-nitropyridine (PubChem CID 130836809) has the molecular formula C6H4F2N2O3 and a molecular weight of 190.11 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-nitropyridine
PubChem CID130836809
Molecular FormulaC6H4F2N2O3
Molecular Weight190.11 g/mol
Exact Mass190.02
IUPAC Name2-(difluoromethoxy)-4-nitropyridine
SMILESO=[N+]([O-])c1ccnc(OC(F)F)c1
InChIInChI=1S/C6H4F2N2O3/c7-6(8)13-5-3-4(10(11)12)1-2-9-5/h1-3,6H
InChIKeyAKNAXSCVTJZPNM-UHFFFAOYSA-N
XLogP1.59
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 51.59
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-bromo-6-(difluoromethoxy)-4-nitropyridine
CID 119019004
2-(3-bromo-4-fluorophenoxy)-4-nitropyridine
CID 83234948
2-(difluoromethoxy)-4-methylpyridine;ethane
CID 157031932
2-(difluoromethoxy)-4-methyl-5-nitropyridine
CID 171503638
4-bromo-2-(difluoromethoxy)-5-nitropyridine
CID 118800660
2-(difluoromethoxy)-4-nitrophenol
CID 118799292
2-[3-(difluoromethoxy)-5-methylpyrazol-1-yl]-4-nitrobenzonitrile
CID 170700959
1-[2-(difluoromethoxy)-5-nitrophenyl]-N-pyridin-4-ylmethanimine
CID 21178302
2-(4-bromo-2-propan-2-ylphenoxy)-4-nitropyridine
CID 115402257
2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine
CID 65362426
4-nitro-2-pyrrolidin-3-yloxypyridine
CID 62349345
4-bromo-3-(difluoromethoxy)-2-nitropyridine
CID 118845417

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-nitropyridine?
The IUPAC name of 2-(difluoromethoxy)-4-nitropyridine (CID 130836809) is 2-(difluoromethoxy)-4-nitropyridine.
What is the SMILES notation for 2-(difluoromethoxy)-4-nitropyridine?
The canonical SMILES for 2-(difluoromethoxy)-4-nitropyridine is O=[N+]([O-])c1ccnc(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-4-nitropyridine?
The InChIKey is AKNAXSCVTJZPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O3/c7-6(8)13-5-3-4(10(11)12)1-2-9-5/h1-3,6H.
What are the key properties of 2-(difluoromethoxy)-4-nitropyridine?
2-(difluoromethoxy)-4-nitropyridine has a molecular weight of 190.11 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-nitropyridine is sourced from PubChem (CID 130836809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).