2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide

C13H12FN3O2 — CID 56675331

IUPAC2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1OCc1ccccc1F
InChIInChI=1S/C13H12FN3O2/c14-11-6-2-1-4-9(11)8-19-13-10(12(15)17-18)5-3-7-16-13/h1-7,18H,8H2,(H2,15,17)
InChIKeyHSRKUUVBLYORDR-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide

2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 56675331) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide
PubChem CID56675331
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1OCc1ccccc1F
InChIInChI=1S/C13H12FN3O2/c14-11-6-2-1-4-9(11)8-19-13-10(12(15)17-18)5-3-7-16-13/h1-7,18H,8H2,(H2,15,17)
InChIKeyHSRKUUVBLYORDR-UHFFFAOYSA-N
XLogP1.89
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.89
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

2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
CID 136739641
N'-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703
3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117654
N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77026755
2-chloro-3-[(2-fluorophenyl)methoxy]pyrazine
CID 63936130
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide (CID 56675331) is 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide is N/C(=N\O)c1cccnc1OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is HSRKUUVBLYORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-11-6-2-1-4-9(11)8-19-13-10(12(15)17-18)5-3-7-16-13/h1-7,18H,8H2,(H2,15,17).
What are the key properties of 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide?
2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 261.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 56675331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).