6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide

C8H9F2N3O2 — CID 82003968

IUPAC6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N/O)c1ccc(OCC(F)F)nc1
InChIInChI=1S/C8H9F2N3O2/c9-6(10)4-15-7-2-1-5(3-12-7)8(11)13-14/h1-3,6,14H,4H2,(H2,11,13)
InChIKeyAFXJEJPBMQRLOG-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.82
Rot. Bonds4

About 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide

6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 82003968) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
PubChem CID82003968
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N/O)c1ccc(OCC(F)F)nc1
InChIInChI=1S/C8H9F2N3O2/c9-6(10)4-15-7-2-1-5(3-12-7)8(11)13-14/h1-3,6,14H,4H2,(H2,11,13)
InChIKeyAFXJEJPBMQRLOG-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)pyridine-3-carbothioamide
CID 82004872
2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 155271721
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
6-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxypyridine-3-carboximidamide
CID 79679021
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
CID 104562144
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
CID 102982006
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332
5-chloro-2-(2,2-difluoroethoxy)pyridine
CID 82005471
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415
N'-hydroxy-6-[4-[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]phenyl]pyridine-3-carboximidamide;hydrochloride
CID 135407885
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 107658401

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide (CID 82003968) is 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide is N/C(=N/O)c1ccc(OCC(F)F)nc1.
What is the InChIKey of 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is AFXJEJPBMQRLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-6(10)4-15-7-2-1-5(3-12-7)8(11)13-14/h1-3,6,14H,4H2,(H2,11,13).
What are the key properties of 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide?
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-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 6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 82003968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).