6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide

C13H12FN3O2 — CID 136745394

IUPAC6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESCc1cccc(Oc2cccc(/C(N)=N/O)n2)c1F
InChIInChI=1S/C13H12FN3O2/c1-8-4-2-6-10(12(8)14)19-11-7-3-5-9(16-11)13(15)17-18/h2-7,18H,1H3,(H2,15,17)
InChIKeyNEPHCVLSNHVVFV-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.42
Rot. Bonds3

About 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide

6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136745394) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136745394
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESCc1cccc(Oc2cccc(/C(N)=N/O)n2)c1F
InChIInChI=1S/C13H12FN3O2/c1-8-4-2-6-10(12(8)14)19-11-7-3-5-9(16-11)13(15)17-18/h2-7,18H,1H3,(H2,15,17)
InChIKeyNEPHCVLSNHVVFV-UHFFFAOYSA-N
XLogP2.42
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.42
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-fluoro-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 107658401
6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide
CID 170856008
3-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136745399
6-(2-methylphenoxy)pyridine-2-carbothioamide
CID 64596092
N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine
CID 107662726
6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
CID 136932336
6-(2-aminophenoxy)-N'-hydroxypyrazine-2-carboximidamide
CID 170856005
N'-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867043
6-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107662740
2-(2-fluoro-3-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107656799
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 170637109

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide (CID 136745394) is 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide is Cc1cccc(Oc2cccc(/C(N)=N/O)n2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is NEPHCVLSNHVVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-8-4-2-6-10(12(8)14)19-11-7-3-5-9(16-11)13(15)17-18/h2-7,18H,1H3,(H2,15,17).
What are the key properties of 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide?
6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 261.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136745394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).