4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide

C15H16FN3O — CID 102982075

IUPAC4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cc(F)ccc2C)cc(C)nc1C
InChIInChI=1S/C15H16FN3O/c1-8-4-5-11(16)7-12(8)20-13-6-9(2)19-10(3)14(13)15(17)18/h4-7H,1-3H3,(H3,17,18)
InChIKeyNQWNMQGFAKYELW-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.22
Rot. Bonds3

About 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide

4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 102982075) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
PubChem CID102982075
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(Oc2cc(F)ccc2C)cc(C)nc1C
InChIInChI=1S/C15H16FN3O/c1-8-4-5-11(16)7-12(8)20-13-6-9(2)19-10(3)14(13)15(17)18/h4-7H,1-3H3,(H3,17,18)
InChIKeyNQWNMQGFAKYELW-UHFFFAOYSA-N
XLogP3.22
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.22
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

4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboxylic acid
CID 102987550
4-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054
4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81051909
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
CID 102982094
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036917
3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 63269865
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289
4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81036488
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81052445

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide (CID 102982075) is 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(Oc2cc(F)ccc2C)cc(C)nc1C.
What is the InChIKey of 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is NQWNMQGFAKYELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-8-4-5-11(16)7-12(8)20-13-6-9(2)19-10(3)14(13)15(17)18/h4-7H,1-3H3,(H3,17,18).
What are the key properties of 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide?
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 273.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 102982075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).