2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide

C15H16FN3O — CID 103174866

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1ccc(C)nc1CC
InChIInChI=1S/C15H16FN3O/c1-3-12-14(6-4-9(2)19-12)20-13-7-5-10(16)8-11(13)15(17)18/h4-8H,3H2,1-2H3,(H3,17,18)
InChIKeyUXPYZZVLOQBBMZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.17
Rot. Bonds4

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide (PubChem CID 103174866) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
PubChem CID103174866
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1ccc(C)nc1CC
InChIInChI=1S/C15H16FN3O/c1-3-12-14(6-4-9(2)19-12)20-13-7-5-10(16)8-11(13)15(17)18/h4-8H,3H2,1-2H3,(H3,17,18)
InChIKeyUXPYZZVLOQBBMZ-UHFFFAOYSA-N
XLogP3.17
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.17
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

5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174838
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174828
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 103174853
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743256
5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712610
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
CID 55233706
2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
CID 107658452
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
2-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide (CID 103174866) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Oc1ccc(C)nc1CC.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide?
The InChIKey is UXPYZZVLOQBBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-3-12-14(6-4-9(2)19-12)20-13-7-5-10(16)8-11(13)15(17)18/h4-8H,3H2,1-2H3,(H3,17,18).
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide has a molecular weight of 273.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 103174866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).