6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide

C13H12FN3O — CID 64855796

IUPAC6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)ccc2F)nc1
InChIInChI=1S/C13H12FN3O/c1-8-2-4-10(14)11(6-8)18-12-5-3-9(7-17-12)13(15)16/h2-7H,1H3,(H3,15,16)
InChIKeyHBYPAMRKRVUNEN-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.61
Rot. Bonds3

About 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide

6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide (PubChem CID 64855796) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
PubChem CID64855796
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)ccc2F)nc1
InChIInChI=1S/C13H12FN3O/c1-8-2-4-10(14)11(6-8)18-12-5-3-9(7-17-12)13(15)16/h2-7H,1H3,(H3,15,16)
InChIKeyHBYPAMRKRVUNEN-UHFFFAOYSA-N
XLogP2.61
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 29293672
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
6-(2,5-dichlorophenoxy)pyridine-3-carboximidamide
CID 24694773
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
6-(3-bromo-4-fluorophenoxy)pyridine-3-carboximidamide
CID 83235122
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
2-(2-fluoro-5-methylphenoxy)-6-methylpyridine-3-carboximidamide
CID 64855988
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
2-(2-methoxy-4-methylphenoxy)pyridine-4-carboximidamide
CID 24702895
3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
CID 64853652
6-(3-methyl-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61037976
3-(2-fluoro-5-methylphenoxy)propanimidamide
CID 64853456

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide (CID 64855796) is 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(C)ccc2F)nc1.
What is the InChIKey of 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide?
The InChIKey is HBYPAMRKRVUNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-8-2-4-10(14)11(6-8)18-12-5-3-9(7-17-12)13(15)16/h2-7H,1H3,(H3,15,16).
What are the key properties of 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide?
6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide has a molecular weight of 245.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 64855796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).