2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide

C8H9F2N3O2 — CID 155271721

IUPAC2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N\O)c1ccnc(OCC(F)F)c1
InChIInChI=1S/C8H9F2N3O2/c9-6(10)4-15-7-3-5(1-2-12-7)8(11)13-14/h1-3,6,14H,4H2,(H2,11,13)
InChIKeyRKCGVUITMBYIQV-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.82
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide

2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide (PubChem CID 155271721) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
PubChem CID155271721
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N\O)c1ccnc(OCC(F)F)c1
InChIInChI=1S/C8H9F2N3O2/c9-6(10)4-15-7-3-5(1-2-12-7)8(11)13-14/h1-3,6,14H,4H2,(H2,11,13)
InChIKeyRKCGVUITMBYIQV-UHFFFAOYSA-N
XLogP0.82
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
CID 135995700
2-fluoro-N'-hydroxypyridine-4-carboximidamide
CID 137242090
[2-(2,2-difluoroethoxy)-4-pyridinyl]methanol
CID 82007049
N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
CID 136845279
[4-[2-(2,2-difluoroethoxy)pyridine-4-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 139011439
N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide
CID 136920317
4-(2,2-difluoroethoxymethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82005290
N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 136932356
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136829662
N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide
CID 155272131

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide (CID 155271721) is 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide is N/C(=N\O)c1ccnc(OCC(F)F)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is RKCGVUITMBYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-6(10)4-15-7-3-5(1-2-12-7)8(11)13-14/h1-3,6,14H,4H2,(H2,11,13).
What are the key properties of 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide?
2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 217.18 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 155271721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).