2-(2,2-difluoroethoxy)-3-nitropyridine

C7H6F2N2O3 — CID 58413333

IUPAC2-(2,2-difluoroethoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1OCC(F)F
InChIInChI=1S/C7H6F2N2O3/c8-6(9)4-14-7-5(11(12)13)2-1-3-10-7/h1-3,6H,4H2
InChIKeyKTDXWFDWEUYSSY-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.63
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-3-nitropyridine

2-(2,2-difluoroethoxy)-3-nitropyridine (PubChem CID 58413333) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-3-nitropyridine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-3-nitropyridine
PubChem CID58413333
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-(2,2-difluoroethoxy)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1OCC(F)F
InChIInChI=1S/C7H6F2N2O3/c8-6(9)4-14-7-5(11(12)13)2-1-3-10-7/h1-3,6H,4H2
InChIKeyKTDXWFDWEUYSSY-UHFFFAOYSA-N
XLogP1.63
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.63
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

1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
CID 71144946
3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
CID 618978
2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine
CID 64571278
(3-nitro-2-pyridinyl) trifluoromethanesulfonate
CID 3252111
(3-nitro-2-pyridinyl) 2-hydroxybutanoate
CID 57203374
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203
2-cyclopentyloxy-3-nitropyridine
CID 124707283
3-nitro-2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247632
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine
CID 56789650
3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine
CID 71144755

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-3-nitropyridine?
The IUPAC name of 2-(2,2-difluoroethoxy)-3-nitropyridine (CID 58413333) is 2-(2,2-difluoroethoxy)-3-nitropyridine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-3-nitropyridine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-3-nitropyridine is O=[N+]([O-])c1cccnc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-3-nitropyridine?
The InChIKey is KTDXWFDWEUYSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-6(9)4-14-7-5(11(12)13)2-1-3-10-7/h1-3,6H,4H2.
What are the key properties of 2-(2,2-difluoroethoxy)-3-nitropyridine?
2-(2,2-difluoroethoxy)-3-nitropyridine has a molecular weight of 204.13 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-3-nitropyridine is sourced from PubChem (CID 58413333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).