3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide

C14H14FN3O2 — CID 136744785

IUPAC3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCc1ccc(F)cc1OCc1cccnc1/C(N)=N/O
InChIInChI=1S/C14H14FN3O2/c1-9-4-5-11(15)7-12(9)20-8-10-3-2-6-17-13(10)14(16)18-19/h2-7,19H,8H2,1H3,(H2,16,18)
InChIKeyDOPHEDLPFLAPTH-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.20
Rot. Bonds4

About 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide

3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136744785) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136744785
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCc1ccc(F)cc1OCc1cccnc1/C(N)=N/O
InChIInChI=1S/C14H14FN3O2/c1-9-4-5-11(15)7-12(9)20-8-10-3-2-6-17-13(10)14(16)18-19/h2-7,19H,8H2,1H3,(H2,16,18)
InChIKeyDOPHEDLPFLAPTH-UHFFFAOYSA-N
XLogP2.20
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.20
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

3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102982030
3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656951
3-(5-fluoro-2-methylphenoxy)pyridine-2-carbothioamide
CID 102981785
3-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136745399
2-bromo-3-[(5-fluoro-2-methylphenoxy)methyl]aniline
CID 114048616
3-[(2-chloro-4-fluorophenoxy)methyl]pyridine-2-carbothioamide
CID 62894313
2-[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986586
N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide
CID 136925059
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
4-[(5-fluoro-2-methylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 102981851

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136744785) is 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide is Cc1ccc(F)cc1OCc1cccnc1/C(N)=N/O.
What is the InChIKey of 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is DOPHEDLPFLAPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-9-4-5-11(15)7-12(9)20-8-10-3-2-6-17-13(10)14(16)18-19/h2-7,19H,8H2,1H3,(H2,16,18).
What are the key properties of 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide?
3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 275.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136744785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).