[4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium

C8H9F2N2O3+ — CID 162687357

IUPAC[4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1cnccc1OCC(F)F
InChIInChI=1S/C8H9F2N2O3/c1-14-12(13)6-4-11-3-2-7(6)15-5-8(9)10/h2-4,8H,5H2,1H3/q+1
InChIKeyLIEJMNIUVWBPLI-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.70
Rot. Bonds5

About [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium

[4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium (PubChem CID 162687357) has the molecular formula C8H9F2N2O3+ and a molecular weight of 219.17 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium
PubChem CID162687357
Molecular FormulaC8H9F2N2O3+
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name[4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium
SMILESCO[N+](=O)c1cnccc1OCC(F)F
InChIInChI=1S/C8H9F2N2O3/c1-14-12(13)6-4-11-3-2-7(6)15-5-8(9)10/h2-4,8H,5H2,1H3/q+1
InChIKeyLIEJMNIUVWBPLI-UHFFFAOYSA-N
XLogP1.70
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium?
The IUPAC name of [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium (CID 162687357) is [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium?
The canonical SMILES for [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium is CO[N+](=O)c1cnccc1OCC(F)F.
What is the InChIKey of [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium?
The InChIKey is LIEJMNIUVWBPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N2O3/c1-14-12(13)6-4-11-3-2-7(6)15-5-8(9)10/h2-4,8H,5H2,1H3/q+1.
What are the key properties of [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium?
[4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium has a molecular weight of 219.17 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-3-pyridinyl]-methoxy-oxoazanium is sourced from PubChem (CID 162687357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).