2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide

C15H16ClN3O — CID 103174833

IUPAC2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1ccc(C)nc1CC
InChIInChI=1S/C15H16ClN3O/c1-3-11-12(8-7-9(2)19-11)20-13-6-4-5-10(16)14(13)15(17)18/h4-8H,3H2,1-2H3,(H3,17,18)
InChIKeyZFYXLMIHPUTVJX-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.68
Rot. Bonds4

About 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide

2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide (PubChem CID 103174833) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
PubChem CID103174833
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1ccc(C)nc1CC
InChIInChI=1S/C15H16ClN3O/c1-3-11-12(8-7-9(2)19-11)20-13-6-4-5-10(16)14(13)15(17)18/h4-8H,3H2,1-2H3,(H3,17,18)
InChIKeyZFYXLMIHPUTVJX-UHFFFAOYSA-N
XLogP3.68
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.68
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

2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174828
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174838
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-4-carboximidamide
CID 103174853
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
CID 114065574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide (CID 103174833) is 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Oc1ccc(C)nc1CC.
What is the InChIKey of 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
The InChIKey is ZFYXLMIHPUTVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-3-11-12(8-7-9(2)19-11)20-13-6-4-5-10(16)14(13)15(17)18/h4-8H,3H2,1-2H3,(H3,17,18).
What are the key properties of 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide?
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide has a molecular weight of 289.77 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide is sourced from PubChem (CID 103174833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).